Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes
Wagner, Paweł; Officer, David L.; Kubicki, Maciej; Acta Crystallographica Section C 63 (2007) o400–o404; doi:10.1107/S0108270107024699

data_2016022
_publ_section_title
;
 Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes
;
_journal_coeditor_code           DN3048
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o400
_journal_page_last               o404
_journal_paper_doi               10.1107/S0108270107024699
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C30 H18 S3'
_chemical_formula_moiety         'C30 H18 S3'
_chemical_formula_sum            'C30 H18 S3'
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_chemical_name_systematic
;
(<i>E</i>)-3'-[2-(1-pyrenyl)ethenyl]-2,2':5',2''-terthiophene
;
_space_group_IT_number           2
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_cell_angle_gamma                72.307(7)
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_cell_measurement_theta_max      22
_cell_measurement_theta_min      5
_cell_volume                     1126.3(2)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Bruker, 1996)'
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_computing_molecular_graphics
'Stereochemical Workstation Operation Manual (Siemens, 1989)'
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_diffrn_ambient_temperature      153.0(10)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4 CCD'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.347
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.400
_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
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+0.7448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
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