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_4115340
_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_moiety         'C14 H16 F6 N2 O3 '
_chemical_formula_sum            'C14 H16 F6 N2 O3'
_chemical_formula_weight         374.28
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.86(8)
_cell_length_b                   18.55(3)
_cell_length_c                   6.244(9)
_cell_measurement_reflns_used    116
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.5
_cell_volume                     2184(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9825
_diffrn_measured_fraction_theta_max 0.9838
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.111
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            24849
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_description       plate
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.80
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.299
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     331
_refine_ls_number_reflns         1500
_refine_ls_R_factor_gt           0.1360
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 3.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1750
_reflns_number_gt                1500
_reflns_number_total             4947
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja028403h-5_s2_1.cif
_cod_data_source_block           Compound3
_cod_original_cell_volume        2185.0(10)
_cod_original_sg_symbol_H-M      'P 21 21 2 '
_cod_original_formula_sum        'C14 H16 F6 N2 O3 '
_cod_database_code               4115340