Thiophene Fused Azacoronenes: Regioselective Synthesis, Self-Organization, Charge Transport and Its Incorporation in Conjugated Polymers
He, Bo; Pun, Andrew B.; Klivansky, Liana M.; McGough, Alexandra M.; Ye, Yifan; Zhu, Junfa; Guo, Jinghua; Teat, Simon J.; Liu, Yi; Chemistry of Materials 26 (2014) 3920–; doi:10.1021/cm5018272

data_4002015
_publ_section_title
;
 Thiophene Fused Azacoronenes: Regioselective Synthesis,
 Self-Organization, Charge Transport and Its Incorporation in Conjugated
 Polymers
;
_journal_issue                   13
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3920
_journal_paper_doi               10.1021/cm5018272
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'C42 H42 N2 O2 S2'
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_atom_sites_solution_hydrogens   mixed
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0746P)^2^+1.3692P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1429
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_reflns_number_gt                3412
_reflns_number_total             4164
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_cod_data_source_file            cm5018272_si_002.cif
_cod_data_source_block           c8taq_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct' changed to 'direct'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 4002015.cif.

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_database_code               4002015
_shelx_estimated_absorpt_t_min   0.929
_shelx_estimated_absorpt_t_max   0.998
_shelxl_version_number           2013-2
_shelx_res_checksum              27786
_shelx_hkl_checksum              42767