4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl–Ethanol (1/1)
Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan; Acta Crystallographica Section C 53 (1997) 1320–1322; doi:10.1107/S0108270197006306

data_2006445
_publ_section_title
;
 4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl--Ethanol (1/1)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1320
_journal_page_last               1322
_journal_paper_doi               10.1107/S0108270197006306
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          C~24~H~20~N~2~O~2~S~2~.C~2~H~5~OH
_chemical_formula_sum            'C26 H26 N2 O3 S2'
_chemical_formula_weight         478.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 119.35(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.228(3)
_cell_length_b                   12.805(2)
_cell_length_c                   16.817(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    288(2)
_cell_measurement_theta_max      25.210
_cell_measurement_theta_min      19.886
_cell_volume                     2482.9(12)
_diffrn_ambient_temperature      288(2)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1544
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        1.67
_diffrn_standards_interval_time  240
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_exptl_absorpt_coefficient_mu    0.244
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.325
_refine_ls_extinction_method     none
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_refine_ls_goodness_of_fit_obs   1.041
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.737
_refine_ls_restrained_S_obs      1.041
_refine_ls_R_factor_all          0.1478
_refine_ls_R_factor_obs          .0500
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.03P)^2^+0.5P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1214
_refine_ls_wR_factor_obs         .0881
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_reflns_number_total             4869
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ab1451.cif
_cod_data_source_block           repeatp
_cod_original_cell_volume        2482.9(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2006445