Pentacyclic Laddersiloxane
Masafumi Unno; Akiko Suto; Hideyuki Matsumoto; Journal of the American Chemical Society 124 (2002) 1574–1575; doi:10.1021/ja0173876

data_4114646
_publ_contact_author_address
;
    Department of Applied Chemistry, Faculty of engineering, Gunma University,
 kiryu 376-8515, Japan
;
_publ_contact_author_email       ' matumoto@chem.gunma-u.ac.jp '
_publ_contact_author_fax         ' +81-277-30-1291 '
_publ_contact_author_name        ' Hideyuki Matsumoto'
_publ_contact_author_phone       ' +81-277-30-1290 '
_publ_section_title
;
 Pentacyclic Laddersiloxane
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1574
_journal_page_last               1575
_journal_paper_doi               10.1021/ja0173876
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C24 H61 O14.5 Si8'
_chemical_formula_weight         806.42
_chemical_melting_point          441(1)
_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
_cell_angle_beta                 109.014(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.671(4)
_cell_length_b                   14.449(2)
_cell_length_c                   18.512(1)
_cell_measurement_temperature    109.2
_cell_volume                     8514.9(16)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.7423
_diffrn_measured_fraction_theta_max 0.7423
_diffrn_measurement_device_type  'imaging plate'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7369
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_exptl_absorpt_coefficient_mu    0.306
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_refine_diff_density_max         1.23
_refine_diff_density_min         -0.90
_refine_ls_extinction_coef       0.0026(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.994
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7369
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.1450
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06400(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1801
_reflns_number_gt                6682
_reflns_number_total             7369
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0173876_s2_1.cif
_cod_data_source_block           Ld-SiOH_5a
_cod_original_cell_volume        8514(1)
_cod_original_formula_sum        'C24 H61 O14.50 Si8 '
_cod_database_code               4114646