First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State
Toshihiro Tanaka; Akikazu Matsumoto; Journal of the American Chemical Society 124 (2002) 9676–9677; doi:10.1021/ja020615r

data_4115045
_publ_section_title
;
 First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by
 Alternate Molecular Stacking in the Crystalline State
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9676
_journal_page_last               9677
_journal_paper_doi               10.1021/ja020615r
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C22 H22 O6 '
_chemical_formula_sum            'C22 H22 O6'
_chemical_formula_weight         382.41
_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                 100.533(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.644(4)
_cell_length_b                   5.6923(4)
_cell_length_c                   9.7803(6)
_cell_measurement_reflns_used    6426
_cell_measurement_temperature    203.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.3
_cell_volume                     1950.9(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 5.00
_diffrn_measured_fraction_theta_full 0.9413
_diffrn_measured_fraction_theta_max 0.9413
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7791
_diffrn_reflns_theta_full        27.37
_diffrn_reflns_theta_max         27.37
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1726
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                1720
_reflns_number_total             2308
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja020615r_s1_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        1951.0(2)
_cod_original_formula_sum        'C22 H22 O6 '
_cod_database_code               4115045