A flip-disorder in the structure of 3-[2-(anthracen-9-yl)ethenyl]thiophene
Wagner, Paweł; Officer, David L.; Kubicki, Maciej; Acta Crystallographica Section E 62 (2006) o5745–o5747; doi:10.1107/S1600536806048586

data_2211368
_publ_section_title
;
 A flip-disorder in the structure of
 3-[2-(anthracen-9-yl)ethenyl]thiophene
;
_journal_coeditor_code           DN2092
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o5745
_journal_page_last               o5747
_journal_paper_doi               10.1107/S1600536806048586
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C20 H14 S'
_chemical_formula_moiety         'C20 H14 S'
_chemical_formula_sum            'C20 H14 S'
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_chemical_name_systematic
;
3-[2-(anthracen-9-yl)ethenyl]thiophene
;
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_cell_angle_beta                 98.478(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.4991(9)
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_cell_measurement_reflns_used    1986
_cell_measurement_temperature    100.0(10)
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_cell_measurement_theta_min      2.5213
_cell_volume                     1431.0(4)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics
'Stereochemical Workstation Operation Manual (Siemens, 1989)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
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_diffrn_measurement_device_type  'Kuma KM-4-CCD four-circle'
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_exptl_absorpt_coefficient_mu    0.215
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.04P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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