Photochromic properties of terarylene derivatives having a π-conjugation unit on central aromatic ring
Kutsunugi, Yuichiro; Kawai, Shigekazu; Nakashima, Takuya; Kawai, Tsuyoshi; New Journal of Chemistry 33 (2009) 1368–; doi:10.1039/b823413b

data_7053790
_publ_section_title
;
 Photochromic properties of terarylene derivatives having a \p-conjugation
 unit on central aromatic ring
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1368
_journal_paper_doi               10.1039/b823413b
_journal_volume                  33
_journal_year                    2009
_chemical_formula_moiety         'C21 H15 N S3 '
_chemical_formula_sum            'C21 H15 N S3'
_chemical_formula_weight         377.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 122.7144(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   24.7188(14)
_cell_length_b                   12.7989(9)
_cell_length_c                   13.7089(8)
_cell_measurement_reflns_used    14005
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     3649.2(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
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_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.091
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            28998
_diffrn_reflns_theta_full        25.28
_diffrn_reflns_theta_max         25.28
_exptl_absorpt_coefficient_mu    0.409
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     481
_refine_ls_number_reflns         6600
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.9500\s(Fo^2^)]/(4Fo^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_original_cell_volume        3649.1(4)
_cod_original_formula_sum        'C21 H15 N S3 '
_cod_database_code               7053790