Diastereoselective Photochromism of a Bisbenzothienylethene Governed by Steric as Well as Electronic Interactions
Yasushi Yokoyama; Hidenori Shiraishi; Yutaka Tani; Yayoi Yokoyama; Yoshitaka Yamaguchi; Journal of the American Chemical Society 125 (2003) 7194–7195; doi:10.1021/ja029535d

data_4113815
_publ_contact_author_address
;
Yokohama National University
Graduate School of Engineering
Department of Advanced Materials Chemistry
79-5, Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan
;
_publ_contact_author_email       ' yyokoyam@ynu.ac.jp '
_publ_contact_author_fax         ' +81-45-339-3934 '
_publ_contact_author_name        ' Yasushi Yokoyama '
_publ_contact_author_phone       ' +81-45-339-3934 '
_publ_section_title
;
 Diastereoselective Photochromism of a Bisbenzothienylethene Governed by
 Steric as Well as Electronic Interactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7194
_journal_page_last               7195
_journal_paper_doi               10.1021/ja029535d
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C26 H20 F6 O2 S2 '
_chemical_formula_sum            'C26 H20 F6 O2 S2'
_chemical_formula_weight         542.55
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_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Mon Nov 25 22:36:35 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.779(3)
_cell_length_b                   17.304(4)
_cell_length_c                   8.443(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     2451.4(14)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_computing_publication_material  'teXsan Ver. 1.11'
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_diffrn_measured_fraction_theta_max 0.9990
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       23
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_diffrn_standards_decay_%        0.99
_diffrn_standards_interval_count 150
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_exptl_absorpt_coefficient_mu    0.285
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.942
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
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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_number_gt                2300
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja029535dsi20021203_074824.cif
_cod_data_source_block           sir3076a/yokoyama_lab/YNU
_cod_original_cell_volume        2451(1)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C26 H20 F6 O2 S2 '
_cod_database_code               4113815