Synthesis and Structural and Photoswitchable Properties of Novel Chiral Host Molecules: Axis Chiral 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene
Toshiaki Shimasaki; Shin-ichiro Kato; Keiko Ideta; Kenta Goto; Teruo Shinmyozu; Journal of Organic Chemistry 72 (2007) 1073–1087; doi:10.1021/jo061127v

data_4022587
_publ_contact_author_address
;
Institute for Materials Chemistry and Engineering (IMCE),
6-10-1 Higashi-ku, Fukuoka 812-8581, Japan
;
_publ_contact_author_email       shinmyo@ms.ifoc.kyushu-u.ac.jp
_publ_contact_author_fax         '+81 92 642 2735'
_publ_contact_author_name        'Prof Teruo Shinmyozu'
_publ_contact_author_phone       '+81 92 642 2716'
_publ_section_title
;
 Synthesis and Structural and Photoswitchable Properties of
 Novel Chiral Host Molecules: Axis Chiral
 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1073
_journal_page_last               1087
_journal_paper_doi               10.1021/jo061127v
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         'C70 H88 O8 '
_chemical_formula_sum            'C70 H88 O8'
_chemical_formula_weight         1057.46
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.4353(19)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2464(11)
_cell_length_b                   10.1280(7)
_cell_length_c                   19.6361(16)
_cell_measurement_reflns_used    35595
_cell_measurement_temperature    113.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.3
_cell_volume                     2786.4(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_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 10.00
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.9978
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24512
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.970
_exptl_crystal_size_mid          0.430
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.39
_refine_diff_density_min         -0.77
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.6(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_number_parameters     779
_refine_ls_number_reflns         10921
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2043
_reflns_number_gt                7022
_reflns_number_total             10921
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo061127vsi20061129_021227_2.cif
_cod_data_source_block           trans-(R),(R)-1_CCDC624693
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C70 H88 O8 '
_cod_database_code               4022587