Drastic change in racemization barrier upon redox reactions: novel chiral-memory units based on dynamic redox systems
Suzuki, Takanori; Wada, Kazuhisa; Ishigaki, Yusuke; Yoshimoto, Yasuyo; Ohta, Eisuke; Kawai, Hidetoshi; Fujiwara, Kenshu; Chemical Communications 46 (2010) 4100–4102; doi:10.1039/c0cc00026d

data_7111629
_publ_section_title
;
 Drastic change in racemization barrier upon redox reactions: novel
 chiral-memory units based on dynamic redox systems
;
_journal_issue                   23
_journal_name_full               'Chemical Communications'
_journal_page_first              4100
_journal_page_last               4102
_journal_paper_doi               10.1039/c0cc00026d
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C44 H38 Cl12 O5 Sb2 '
_chemical_formula_sum            'C44 H38 Cl12 O5 Sb2'
_chemical_formula_weight         1315.72
_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'
_cell_angle_alpha                81.941(18)
_cell_angle_beta                 80.772(18)
_cell_angle_gamma                79.240(18)
_cell_formula_units_Z            4
_cell_length_a                   12.073(4)
_cell_length_b                   15.599(6)
_cell_length_c                   27.406(11)
_cell_measurement_reflns_used    16242
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      1.3
_cell_volume                     4972(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.781
_diffrn_measured_fraction_theta_max 0.781
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.194
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            44221
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_exptl_absorpt_coefficient_mu    1.773
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2592.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.75
_refine_diff_density_min         -1.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.699
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1211
_refine_ls_number_reflns         3091
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                2969
_reflns_number_total             23827
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0cc00026dsup1.cif
_cod_data_source_block           090303s
_cod_original_formula_sum        'C44 H38 Cl12 O5 Sb2 '
_cod_database_code               7111629