Aromaticity in Tropone-Containing Polythiophene
Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M.; Macromolecules 39 (2006) 5598–; doi:10.1021/ma061423+

data_1516741
_publ_section_title
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 Aromaticity in Tropone-Containing Polythiophene
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_journal_issue                   17
_journal_name_full               Macromolecules
_journal_page_first              5598
_journal_paper_doi               10.1021/ma061423+
_journal_volume                  39
_journal_year                    2006
_chemical_formula_sum            'C17 H12 O3 S2'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
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_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    0.393
_exptl_absorpt_correction_T_max  0.9082
_exptl_absorpt_correction_T_min  0.8587
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_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^)+(0.0494P)^2^+1.6100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0861
_reflns_number_gt                3630
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma061423%2Bsi20060624_120957.cif
_cod_data_source_block           06024
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               1516741