<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene
Toma, Yuki; Otsuka, Kyohei; Kyushin, Soichiro; Acta Crystallographica Section E 69 (2013) o341–; doi:10.1107/S1600536813002584

data_2237461
_publ_section_title
;
 <i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene
;
_journal_coeditor_code           DS2224
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o341
_journal_paper_doi               10.1107/S1600536813002584
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C28 H52 Si8'
_chemical_formula_moiety         'C28 H52 Si8'
_chemical_formula_sum            'C28 H52 Si8'
_chemical_formula_weight         613.42
_chemical_melting_point_gt       328
_chemical_melting_point_lt       330
_chemical_name_systematic
<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.2788(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.9801(8)
_cell_length_b                   18.9087(14)
_cell_length_c                   12.6222(10)
_cell_measurement_reflns_used    11187
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      28.2812
_cell_measurement_theta_min      1.6650
_cell_volume                     1845.8(3)
_computing_cell_refinement       '<i>CrystalClear</i> (Rigaku, 2003)'
_computing_data_collection       '<i>CrystalClear</i> (Rigaku, 2003)'
_computing_data_reduction        '<i>CrystalClear</i> (Rigaku, 2003)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 2012)'
_computing_publication_material
;
<i>SHELXL97</i> (Sheldrick, 2008) and <i>Yadokari-XG 2009</i>
(Kabuto <i>et al.</i>, 2009)
;
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SIR2004</i> (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      203(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Rigaku R-AXIS IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0172
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9672
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.307
_exptl_absorpt_correction_T_max  0.9272
_exptl_absorpt_correction_T_min  0.9272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Jacobson, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.245
_refine_diff_density_min         -0.255
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         3096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0349P)^2^+0.7873P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                3076
_reflns_number_total             3096
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ds2224.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237461
_cod_database_fobs_code          2237461