Synthesis of Octacarboxy Spherosilicate
Hongzhi Liu; Shin-ichi Kondo; Nobuhiro Takeda; Masafumi Unno; Journal of the American Chemical Society 130 (2008) 10074–10075; doi:10.1021/ja803513n

data_4108145
_publ_section_title
;
 Synthesis of Octacarboxy Spherosilicate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10074
_journal_page_last               10075
_journal_paper_doi               10.1021/ja803513n
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C18 H22 O5 Si2 '
_chemical_formula_sum            'C18 H22 O5 Si2'
_chemical_formula_weight         374.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.1024(19)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   27.5603(18)
_cell_length_b                   9.3418(5)
_cell_length_c                   15.5154(10)
_cell_measurement_reflns_used    12120
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      32.6
_cell_measurement_theta_min      1.5
_cell_volume                     3890.6(4)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.783
_diffrn_measured_fraction_theta_max 0.783
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14351
_diffrn_reflns_theta_full        32.17
_diffrn_reflns_theta_max         32.17
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_description       prism
_exptl_crystal_F_000             1584.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.10
_refine_diff_density_min         -1.53
_refine_ls_extinction_coef       97(2)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   3.496
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     249
_refine_ls_number_reflns         10937
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                10937
_reflns_number_total             5361
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja803513n-file004.cif
_cod_data_source_block           '__Q8COOH'
_cod_original_formula_sum        'C18 H22 O5 Si2 '
_cod_database_code               4108145