Homochiral Supramolecular Polymerization of an "S"-Shaped Chiral Monomer: Translation of Optical Purity into Molecular Weight Distribution
Yasuhiro Ishida; Takuzo Aida; Journal of the American Chemical Society 124 (2002) 14017–14019; doi:10.1021/ja028403h

data_4115341
_publ_section_title
;
 Homochiral Supramolecular Polymerization of an "S"-Shaped Chiral Monomer:
 Translation of Optical Purity into Molecular Weight Distribution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14017
_journal_page_last               14019
_journal_paper_doi               10.1021/ja028403h
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C30 H30 F12 N4 O12'
_chemical_formula_weight         866.57
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Mar  1 13:29:49 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                105.67(2)
_cell_angle_beta                 95.622(7)
_cell_angle_gamma                96.003(7)
_cell_formula_units_Z            1
_cell_length_a                   6.235(2)
_cell_length_b                   11.743(5)
_cell_length_c                   14.210(7)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    123.2
_cell_measurement_theta_min      13.7
_cell_volume                     987.6(7)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.9687
_diffrn_measured_fraction_theta_max 0.9687
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11449
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.97
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4363
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10800(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2455
_reflns_number_gt                1999
_reflns_number_total             4363
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja028403h-5_s2_2.cif
_cod_data_source_block           Compound3'
_cod_original_cell_volume        987.5(7)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C30 H30 F12 N4 O12 '
_cod_database_code               4115341