π-Conjugated oligothiophene–anthracene co-oligomers: synthesis, physical properties, and self-assembly
Luo, Jing; Qu, Hemi; Yin, Jun; Zhang, Xiaojie; Huang, Kuo-Wei; Chi, Chunyan; Journal of Materials Chemistry 19 (2009) 8202–; doi:10.1039/b911911f

data_7201447
_publ_section_title
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 \p-Conjugated oligothiophene--anthracene co-oligomers: synthesis,
 physical properties, and self-assembly
;
_journal_issue                   43
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              8202
_journal_paper_doi               10.1039/b911911f
_journal_volume                  19
_journal_year                    2009
_chemical_formula_sum            'C50 H66 S2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -5
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.163
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_exptl_absorpt_correction_T_min  0.8809
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            GOLDEN
_exptl_crystal_density_diffrn    1.175
_exptl_crystal_density_meas      ?
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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^)+(0.0741P)^2^+1.1427P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1278
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                4390
_reflns_number_total             4723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911911f.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7201447