2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-vinyltrisiloxan-1-yl)cyclodisilazane
Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin; Acta Crystallographica Section E 67 (2011) o1234–; doi:10.1107/S1600536811014863

data_2230070
_publ_section_title
;
 2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-vinyltrisiloxan-1-yl)cyclodisilazane
;
_journal_coeditor_code           LH5235
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1234
_journal_paper_doi               10.1107/S1600536811014863
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C60 H70 N2 O4 Si8'
_chemical_formula_moiety         'C60 H70 N2 O4 Si8'
_chemical_formula_sum            'C60 H70 N2 O4 Si8'
_chemical_formula_weight         1107.90
_chemical_name_systematic
;
2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-
vinyltrisiloxan-1-yl)cyclodisilazane
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                88.320(9)
_cell_angle_beta                 76.120(6)
_cell_angle_gamma                78.860(8)
_cell_formula_units_Z            1
_cell_length_a                   10.731(2)
_cell_length_b                   11.021(2)
_cell_length_c                   13.859(3)
_cell_measurement_reflns_used    4640
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.51
_cell_volume                     1561.0(5)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn724+ CCD'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12950
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    0.217
_exptl_absorpt_correction_T_max  0.9539
_exptl_absorpt_correction_T_min  0.9164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.318
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         6338
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+1.4799P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1606
_refine_ls_wR_factor_ref         0.1694
_reflns_number_gt                5389
_reflns_number_total             6338
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5235.cif
_cod_data_source_block           I
_cod_original_cell_volume        1561.0(6)
_cod_database_code               2230070
_cod_database_fobs_code          2230070