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_7111631
_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_sum            'C48 H38 N2 O'
_chemical_formula_weight         658.84
_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                90.0000(4)
_cell_angle_beta                 120.2315(5)
_cell_angle_gamma                90.0000(4)
_cell_formula_units_Z            4
_cell_length_a                   23.560(4)
_cell_length_b                   11.900(2)
_cell_length_c                   13.927(2)
_cell_measurement_reflns_used    5436
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     3373.6(9)
_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    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 3.5488
_diffrn_measured_fraction_theta_max 3.5488
_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  0.014
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.400
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_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.46
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           '_091107r'
_cod_original_cell_volume        3373.5(9)
_cod_original_formula_sum        'C48 H38 N2 O '
_cod_database_code               7111631