Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene.
Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C.; Organic letters 5 (2003) 823–826; doi:10.1021/ol020253s

data_1507246
_publ_section_title
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 Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene.
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_journal_issue                   6
_journal_name_full               'Organic letters'
_journal_page_first              823
_journal_page_last               826
_journal_paper_doi               10.1021/ol020253s
_journal_volume                  5
_journal_year                    2003
_chemical_formula_moiety         C32H32O8.2(CH2Cl2)
_chemical_formula_sum            'C34 H36 Cl4 O8'
_chemical_formula_weight         714.43
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.929(5)
_cell_angle_beta                 104.420(5)
_cell_angle_gamma                110.950(4)
_cell_formula_units_Z            2
_cell_length_a                   9.460(2)
_cell_length_b                   12.892(3)
_cell_length_c                   15.324(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1678.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_sigmaI/netI    0.1386
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8763
_diffrn_reflns_theta_full        24.08
_diffrn_reflns_theta_max         24.08
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.403
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          '0.21 mm'
_exptl_crystal_size_mid          '0.19 mm'
_exptl_crystal_size_min          '0.14 mm'
_refine_diff_density_max         0.280
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.0010(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.805
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.805
_refine_ls_R_factor_all          0.1297
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                2294
_reflns_number_total             5279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol020253s.cif
_cod_data_source_block           lai4
_cod_original_cell_volume        1678.8(6)
_cod_database_code               1507246