Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.
Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa; Journal of the American Chemical Society 136 (2014) 5057–5064; doi:10.1021/ja413018f

data_4121610
_publ_section_title
;
 Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and
 Highly Substituted Nanographenes from Simple Aromatics.
;
_journal_issue                   13
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5057
_journal_page_last               5064
_journal_paper_doi               10.1021/ja413018f
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         '2(C H Cl3), C132 H144 O6'
_chemical_formula_sum            'C134 H146 Cl6 O6'
_chemical_formula_weight         2065.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-06-26
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_cell_angle_alpha                91.3836(17)
_cell_angle_beta                 93.8054(15)
_cell_angle_gamma                100.7521(16)
_cell_formula_units_Z            2
_cell_length_a                   14.3699(2)
_cell_length_b                   18.8611(4)
_cell_length_c                   20.7510(4)
_cell_measurement_reflns_used    20292
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      72.4697
_cell_measurement_theta_min      3.2589
_cell_volume                     5509.44(18)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.9656
_diffrn_measured_fraction_theta_max 0.9898
_diffrn_measurement_details
;
  1 omega  -80.00  -36.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000   90.0000 44

  2 omega  -82.00  -56.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000   30.0000 26

  3 omega  -15.00   63.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000    0.0000 78

  4 omega  -79.00  -52.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000  -60.0000 27

  5 omega  -24.00   58.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000  -90.0000 82

  6 omega -120.00  -79.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -58.0000  -99.0000   90.0000 41

  7 omega -120.00  -79.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -58.0000  -99.0000 -180.0000 41

  8 omega -130.00  -84.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -58.0000  -99.0000 -120.0000 46

  9 omega -132.00 -107.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -58.0000  -99.0000  -30.0000 25

 10 omega   35.00  128.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   57.0000  -60.0000 93

 11 omega   43.00  116.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000 -125.0000  -90.0000 73

 12 omega   27.00   53.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000 -125.0000   90.0000 26

 13 omega   26.00   90.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000  -77.0000  -60.0000 64

 14 omega   34.00  118.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   57.0000   90.0000 84

 15 omega   66.00  118.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  -30.0000 52

 16 omega   88.00  113.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000 -125.0000   90.0000 25

 17 omega  -32.00    4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.5000   25.0000  -60.0000 36

 18 omega  -57.00    3.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.5000   50.0000 -120.0000 60

 19 omega  -86.00   -9.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.5000   63.0000 -180.0000 77

 20 omega  102.00  129.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   38.0000  150.0000 27

 21 omega   45.00   73.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000   90.0000 28

 22 omega   66.00   99.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -20.0000   -2.9121 33

 23 omega   45.00   88.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000  -60.0000 43

 24 omega   45.00   70.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000   30.0000 25

 25 omega   45.00   99.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000 -150.0000 54

 26 omega   79.00  104.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000   30.0000 25

 27 omega  132.00  157.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000    0.0000 25

 28 omega   77.00  116.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000  -30.0000 39

 29 omega   72.00  116.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000  -90.0000 44

 30 omega   46.00  147.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -77.0000  -60.0000 101

 31 omega   54.00   84.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000 -150.0000 30

 32 omega   45.00   92.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -25.0000  150.0000 47

 33 omega   45.00  103.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -79.0000 -150.8826 58

 34 omega   77.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000 -180.0000 32

 35 omega   89.00  124.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -63.0000   30.0000 35

 36 omega   42.00   94.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -25.0000 -120.0000 52

 37 omega   44.00   92.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000   30.0000 48

 38 omega  151.00  178.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   12.0000  -90.0000 27

 39 omega   79.00  104.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000 -180.0000 25

 40 omega  109.00  135.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   12.0000  -90.0000 26

 41 omega  105.00  175.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  111.0000  -30.0000 70

 42 omega   65.00   90.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -25.0000  -60.0000 25

 43 omega   46.00  112.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000  120.0000 66

 44 omega   45.00   70.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000    0.0000 25

 45 omega   47.00   91.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000  -90.0000 44

 46 omega   51.00   89.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -50.0000  150.0000 38

 47 omega   44.00   99.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   12.0000  -90.0000 55

 48 omega   92.00  118.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   63.0000 -180.0000 26

 49 omega   47.00  103.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -63.0000 -150.0000 56

 50 omega  109.00  177.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   38.0000  -60.0000 68

 51 omega   71.00   96.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000 -150.0000 25

 52 omega   47.00   75.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000   90.0000 28

 53 omega   95.00  124.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -63.0000  120.0000 29

 54 omega   59.00   84.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000    0.0000 25

 55 omega  115.00  143.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000   30.0000 28

 56 omega  101.00  177.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  111.0000 -180.0000 76

 57 omega   49.00   74.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -25.0000   90.0000 25

 58 omega  112.00  139.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   77.0000  -90.0000 27

 59 omega   43.00   68.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000  120.0000 25

 60 omega  104.00  129.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  111.0000  -90.0000 25

 61 omega  103.00  177.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   25.0000   60.0000 74

 62 omega  103.00  137.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   25.0000   90.0000 34

 63 omega  130.00  157.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   50.0000 -180.0000 27

 64 omega   62.00  116.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000 -111.0000 -150.0000 54

 65 omega   94.00  123.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   50.0000 -180.0000 29

 66 omega   77.00  140.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000  -30.0000 63

 67 omega  147.00  174.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   50.0000  120.0000 27

 68 omega  104.00  149.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  178.0000  -90.0000 45

 69 omega   89.00  121.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -63.0000  -60.0000 32

 70 omega   42.00   93.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -25.0000 -180.0000 51

 71 omega   49.00   76.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -38.0000  -90.0000 27

 72 omega  103.00  137.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   50.0000  120.0000 34

 73 omega  132.00  172.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   38.0000  150.0000 40

 74 omega  107.00  134.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -91.0000 -150.0000 27

 75 omega   67.00  100.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -48.0000  -61.3419 33

 76 omega   65.00   92.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  178.0000   90.0000 27

 77 omega   95.00  127.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -77.0000  -30.0000 32

 78 omega  127.00  152.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000   25.0000  -30.0000 25

 79 omega   77.00  110.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -98.0000  -75.6866 33

 80 omega   54.00   91.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      116.0000  -33.0000  -48.4294 37
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0211933000
_diffrn_orient_matrix_UB_12      0.0797879000
_diffrn_orient_matrix_UB_13      0.0237366000
_diffrn_orient_matrix_UB_21      0.0224701000
_diffrn_orient_matrix_UB_22      -0.0229969000
_diffrn_orient_matrix_UB_23      0.0691686000
_diffrn_orient_matrix_UB_31      0.1049581000
_diffrn_orient_matrix_UB_32      0.0051715000
_diffrn_orient_matrix_UB_33      -0.0140004000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            70899
_diffrn_reflns_theta_full        72.62
_diffrn_reflns_theta_max         72.62
_diffrn_reflns_theta_min         3.26
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.866
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2200
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.740
_refine_diff_density_min         -1.558
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1347
_refine_ls_number_reflns         21767
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.1115
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1681P)^2^+8.2133P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2761
_refine_ls_wR_factor_ref         0.2967
_reflns_number_gt                17552
_reflns_number_total             21767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja413018f_si_006.cif
_cod_data_source_block           shanshida1008_1
_cod_original_cell_volume        5509.42(19)
_cod_database_code               4121610
_reflns_odcompleteness_completeness 96.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_olex2_refinement_description
;
1. Others
 Fixed Sof: C1A(0.5) H1AA(0.5) H1AB(0.5) C1B(0.5) H1BA(0.5) H1BB(0.5)
 H1BC(0.5) C1C(0.5) H1CA(0.5) H1CB(0.5) C1D(0.5) H1DA(0.5) H1DB(0.5) C1E(0.5)
 H1EA(0.5) H1EB(0.5) H1EC(0.5) C1F(0.5) H1FA(0.5) H1FB(0.5) H12W(0.5) H12X(0.5)
 H12U(0.5) H12V(0.5)
 Fixed Uiso: H1AA(0.082) H1AB(0.082) H1BA(0.145) H1BB(0.145) H1BC(0.145)
 H1CA(0.043) H1CB(0.043) H1DA(0.113) H1DB(0.113) H1EA(0.167) H1EB(0.167)
 H1EC(0.167) H1FA(0.08) H1FB(0.08) H2(0.024) H4(0.024) H11(0.017) H13(0.017)
 H23(0.018) H25(0.019) H48(0.02) H50(0.019) H60(0.02) H62(0.02) H70(0.017)
 H72(0.018) H74A(0.06) H74B(0.06) H74C(0.06) H75A(0.063) H75B(0.063)
 H75C(0.063) H76A(0.081) H76B(0.081) H76C(0.081) H78A(0.032) H78B(0.032)
 H78C(0.032) H79A(0.03) H79B(0.03) H79C(0.03) H80A(0.035) H80B(0.035)
 H80C(0.035) H82A(0.035) H82B(0.035) H82C(0.035) H83A(0.04) H83B(0.04)
 H83C(0.04) H84A(0.039) H84B(0.039) H84C(0.039) H86A(0.04) H86B(0.04)
 H86C(0.04) H87A(0.037) H87B(0.037) H87C(0.037) H88A(0.035) H88B(0.035)
 H88C(0.035) H90A(0.03) H90B(0.03) H90C(0.03) H91A(0.027) H91B(0.027)
 H91C(0.027) H92A(0.028) H92B(0.028) H92C(0.028) H94A(0.034) H94B(0.034)
 H94C(0.034) H95A(0.039) H95B(0.039) H95C(0.039) H96A(0.041) H96B(0.041)
 H96C(0.041) H97A(0.026) H97B(0.026) H98A(0.031) H98B(0.031) H99A(0.039)
 H99B(0.039) H10A(0.054) H10B(0.054) H10C(0.127) H10D(0.127) H10E(0.127)
 H10F(0.078) H10G(0.078) H10H(0.036) H10I(0.036) H10J(0.041) H10K(0.041)
 H10L(0.04) H10M(0.04) H10N(0.041) H10O(0.041) H10P(0.046) H10Q(0.046)
 H10R(0.071) H10S(0.071) H10T(0.071) H10U(0.021) H10V(0.021) H11A(0.022)
 H11B(0.022) H11C(0.026) H11D(0.026) H11E(0.031) H11F(0.031) H11G(0.037)
 H11H(0.037) H11I(0.068) H11J(0.068) H11K(0.068) H11L(0.025) H11M(0.025)
 H11N(0.027) H11O(0.027) H11P(0.033) H11Q(0.033) H11R(0.044) H11S(0.044)
 H11T(0.059) H11U(0.059) H12A(0.117) H12B(0.117) H12C(0.117) H12D(0.022)
 H12E(0.022) H12F(0.026) H12G(0.026) H12H(0.028) H12I(0.028) H12J(0.032)
 H12K(0.032) H12L(0.044) H12M(0.044) H12N(0.076) H12O(0.076) H12P(0.076)
 H12Q(0.029) H12R(0.029) H12S(0.036) H12T(0.036) H12W(0.071) H12X(0.071)
 H12U(0.071) H12V(0.071) H133(0.072) H134(0.062)
 Fixed X: H1AA(1.4428) H1AB(1.4253) H1BA(1.3599) H1BB(1.4357) H1BC(1.4188)
 H1CA(1.3621) H1CB(1.2945) H1DA(1.3131) H1DB(1.2521) H1EA(1.339) H1EB(1.3819)
 H1EC(1.2841) H1FA(1.3988) H1FB(1.3404) H2(0.8097) H4(0.6069) H11(0.5444)
 H13(0.4695) H23(0.5574) H25(0.7417) H48(0.8317) H50(1.0529) H60(1.0971)
 H62(1.2868) H70(1.3501) H72(1.3692) H74A(0.7927) H74B(0.7499) H74C(0.8124)
 H75A(0.6759) H75B(0.6166) H75C(0.5753) H76A(0.5479) H76B(0.5883) H76C(0.6301)
 H78A(0.4699) H78B(0.3705) H78C(0.3834) H79A(0.3106) H79B(0.3087) H79C(0.3597)
 H80A(0.5127) H80B(0.4604) H80C(0.5546) H82A(0.5806) H82B(0.5077) H82C(0.4863)
 H83A(0.4663) H83B(0.4768) H83C(0.5411) H84A(0.6778) H84B(0.6159) H84C(0.7018)
 H86A(1.0486) H86B(1.051) H86C(1.0989) H87A(0.8106) H87B(0.872) H87C(0.8745)
 H88A(0.9984) H88B(0.9542) H88C(0.8879) H90A(1.5173) H90B(1.5792) H90C(1.4764)
 H91A(1.4298) H91B(1.5302) H91C(1.4389) H92A(1.5252) H92B(1.6083) H92C(1.5498)
 H94A(1.3294) H94B(1.3479) H94C(1.368) H95A(1.2593) H95B(1.2381) H95C(1.1542)
 H96A(1.0959) H96B(1.1809) H96C(1.1656) H97A(1.1565) H97B(1.093) H98A(1.1471)
 H98B(1.2172) H99A(1.2844) H99B(1.2296) H10A(1.3886) H10B(1.3746) H10C(1.4393)
 H10D(1.4353) H10E(1.3772) H10F(1.281) H10G(1.271) H10H(0.7944) H10I(0.8889)
 H10J(0.8219) H10K(0.8195) H10L(0.9914) H10M(0.9844) H10N(0.9153) H10O(0.9066)
 H10P(1.0823) H10Q(1.0729) H10R(1.0076) H10S(1.096) H10T(0.9936) H10U(0.3555)
 H10V(0.4057) H11A(0.2404) H11B(0.2938) H11C(0.2589) H11D(0.1976) H11E(0.1546)
 H11F(0.0937) H11G(0.1132) H11H(0.0514) H11I(-0.0456) H11J(-0.0539)
 H11K(0.0091) H11L(0.4553) H11M(0.3752) H11N(0.386) H11O(0.3157) H11P(0.2249)
 H11Q(0.3024) H11R(0.1937) H11S(0.2728) H11T(0.1803) H11U(0.0998) H12A(0.0782)
 H12B(0.0648) H12C(0.1599) H12D(1.2001) H12E(1.2596) H12F(1.22) H12G(1.1428)
 H12H(1.3391) H12I(1.2589) H12J(1.3114) H12K(1.228) H12L(1.4218) H12M(1.3395)
 H12N(1.4096) H12O(1.3918) H12P(1.3058) H12Q(1.1918) H12R(1.1516) H12S(1.3053)
 H12T(1.3405) H12W(1.2124) H12X(1.2161) H12U(1.2517) H12V(1.1918) H133(-0.0018)
 H134(0.3176)
 Fixed Y: H1AA(0.4924) H1AB(0.4123) H1BA(0.5423) H1BB(0.5109) H1BC(0.5892)
 H1CA(0.4876) H1CB(0.5063) H1DA(0.5465) H1DB(0.5016) H1EA(0.3749) H1EB(0.4491)
 H1EC(0.4393) H1FA(0.4539) H1FB(0.4093) H2(0.1925) H4(0.0157) H11(-0.0759) H13(-
 0.18) H23(-0.2438) H25(-0.2174) H48(-0.1442) H50(0.0197) H60(0.4253) H62(0.45)
 H70(0.2466) H72(0.395) H74A(0.0965) H74B(0.1539) H74C(0.1776) H75A(0.2312)
 H75B(0.2052) H75C(0.1819) H76A(0.0557) H76B(0.0787) H76C(0.0213) H78A(-0.1666)
 H78B(-0.2179) H78C(-0.1377) H79A(-0.1946) H79B(-0.2703) H79C(-0.2516) H80A(-
 0.2787) H80B(-0.3027) H80C(-0.2449) H82A(-0.375) H82B(-0.4096) H82C(-0.3458)
 H83A(-0.2678) H83B(-0.3306) H83C(-0.2542) H84A(-0.318) H84B(-0.3932) H84C(-
 0.3594) H86A(0.0216) H86B(-0.0387) H86C(-0.0433) H87A(-0.0709) H87B(-0.0519)
 H87C(0.0059) H88A(-0.1695) H88B(-0.156) H88C(-0.1795) H90A(0.2717)
 H90B(0.3433) H90C(0.3166) H91A(0.4313) H91B(0.4638) H91C(0.4628) H92A(0.4001)
 H92B(0.394) H92C(0.3243) H94A(0.5196) H94B(0.5966) H94C(0.5301) H95A(0.5627)
 H95B(0.6271) H95C(0.5679) H96A(0.5483) H96B(0.6089) H96C(0.5327) H97A(0.312)
 H97B(0.3216) H98A(0.4496) H98B(0.4354) H99A(0.3648) H99B(0.4031) H10A(0.4635)
 H10B(0.4772) H10C(0.606) H10D(0.6019) H10E(0.6517) H10F(0.5396) H10G(0.5547)
 H10H(0.3176) H10I(0.3746) H10J(0.3957) H10K(0.3156) H10L(0.4154) H10M(0.3369)
 H10N(0.4479) H10O(0.3692) H10P(0.4647) H10Q(0.3862) H10R(0.5) H10S(0.4678)
 H10T(0.4211) H10U(-0.0806) H10V(-0.062) H11A(-0.0965) H11B(-0.1499) H11C(-
 0.2314) H11D(-0.1792) H11E(-0.2526) H11F(-0.1997) H11G(-0.3316) H11H(-0.2789)
 H11I(-0.3758) H11J(-0.3028) H11K(-0.3532) H11L(-0.1241) H11M(-0.1272) H11N(-
 0.2422) H11O(-0.1889) H11P(-0.2353) H11Q(-0.2777) H11R(-0.3128) H11S(-0.3545)
 H11T(-0.3942) H11U(-0.3562) H12A(-0.4355) H12B(-0.4801) H12C(-0.4729)
 H12D(0.0665) H12E(0.1352) H12F(0.2104) H12G(0.1486) H12H(0.1452) H12I(0.0906)
 H12J(0.2383) H12K(0.1855) H12L(0.173) H12M(0.1169) H12N(0.1953) H12O(0.2621)
 H12P(0.2082) H12Q(0.3091) H12R(0.2758) H12S(0.3123) H12T(0.3497) H12W(0.3928)
 H12X(0.4201) H12U(0.4376) H12V(0.3941) H133(0.8224) H134(0.0789)
 Fixed Z: H1AA(-0.3249) H1AB(-0.3026) H1BA(-0.4217) H1BB(-0.3791) H1BC(-
 0.3643) H1CA(-0.2309) H1CB(-0.288) H1DA(-0.2991) H1DB(-0.3573) H1EA(-0.3865)
 H1EB(-0.4151) H1EC(-0.3838) H1FA(-0.2832) H1FB(-0.3423) H2(0.3891) H4(0.3751)
 H11(0.3276) H13(0.1571) H23(-0.1227) H25(-0.2604) H48(-0.3072) H50(-0.2943)
 H60(0.2302) H62(0.0963) H70(-0.1031) H72(0.0402) H74A(0.5112) H74B(0.5496)
 H74C(0.4919) H75A(0.4414) H75B(0.5001) H75C(0.4293) H76A(0.4577) H76B(0.5287)
 H76C(0.4896) H78A(0.3775) H78B(0.3665) H78C(0.345) H79A(0.2348) H79B(0.2646)
 H79C(0.201) H80A(0.249) H80B(0.3111) H80C(0.317) H82A(-0.154) H82B(-0.2108)
 H82C(-0.168) H83A(-0.2577) H83B(-0.3059) H83C(-0.3099) H84A(-0.3044) H84B(-
 0.2914) H84C(-0.2427) H86A(-0.3995) H86B(-0.4524) H86C(-0.3829) H87A(-0.4081)
 H87B(-0.4672) H87C(-0.4112) H88A(-0.3827) H88B(-0.4513) H88C(-0.3955) H90A(-
 0.0871) H90B(-0.1089) H90C(-0.141) H91A(-0.1155) H91B(-0.0819) H91C(-0.0442)
 H92A(0.0427) H92B(-0.0011) H92C(0.0268) H94A(0.253) H94B(0.2242) H94C(0.1843)
 H95A(0.0917) H95B(0.134) H95C(0.1037) H96A(0.2145) H96B(0.241) H96C(0.2714)
 H97A(0.3339) H97B(0.3913) H98A(0.3882) H98B(0.3366) H99A(0.4195) H99B(0.4684)
 H10A(0.4689) H10B(0.395) H10C(0.4251) H10D(0.5003) H10E(0.4616) H10F(0.4903)
 H10G(0.4164) H10H(0.3467) H10I(0.3427) H10J(0.4398) H10K(0.4587) H10L(0.4506)
 H10M(0.4755) H10N(0.5409) H10O(0.5656) H10P(0.5576) H10Q(0.5831) H10R(0.647)
 H10S(0.6717) H10T(0.6719) H10U(0.0201) H10V(0.0898) H11A(0.0961) H11B(0.1335)
 H11C(0.0415) H11D(0.0098) H11E(0.1245) H11F(0.0935) H11G(0.0329) H11H(0.0026)
 H11I(0.0497) H11J(0.0845) H11K(0.1172) H11L(-0.1336) H11M(-0.0849) H11N(-
 0.1728) H11O(-0.1849) H11P(-0.1036) H11Q(-0.0769) H11R(-0.1965) H11S(-0.1715)
 H11T(-0.0834) H11U(-0.1128) H12A(-0.2038) H12B(-0.1412) H12C(-0.1755) H12D(-
 0.306) H12E(-0.2679) H12F(-0.3463) H12G(-0.3802) H12H(-0.3777) H12I(-0.4174)
 H12J(-0.4447) H12K(-0.4833) H12L(-0.4831) H12M(-0.5192) H12N(-0.5938) H12O(-
 0.5532) H12P(-0.588) H12Q(-0.1656) H12R(-0.2344) H12S(-0.2724) H12T(-0.2045)
 H12W(-0.2962) H12X(-0.2244) H12U(-0.2206) H12V(-0.2802) H133(0.2972)
 H134(0.2831)
;