1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane
Büyükgüngör, Orhan; Özek, Arzu; Senem Karahan; Elif Subaşı; Acta Crystallographica Section E 64 (2008) o528–o528; doi:10.1107/S1600536808002705

data_2217553
_publ_section_title
;
 1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane
;
_journal_coeditor_code           HK2423
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o528
_journal_page_last               o528
_journal_paper_doi               10.1107/S1600536808002705
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C30 H24 N2 O2 S2'
_chemical_formula_moiety         'C30 H24 N2 O2 S2'
_chemical_formula_sum            'C30 H24 N2 O2 S2'
_chemical_formula_weight         508.63
_chemical_name_systematic
;
1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane
;
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.522(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
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_cell_length_c                   17.4954(17)
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_cell_measurement_temperature    296
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_cell_measurement_theta_min      1.67
_cell_volume                     1198.65(18)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin long plate'
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_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0302P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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