Adamantane substitutions: a path to high-performing, soluble, versatile and sustainable organic semiconducting materials
Kovalenko, Alexander; Yumusak, Cigdem; Heinrichova, Patricie; Stritesky, Stanislav; Fekete, Ladislav; Vala, Martin; Weiter, Martin; Sariciftci, Niyazi Serdar; Krajcovic, Jozef; Journal of Materials Chemistry C 5 (2017) 4716–; doi:10.1039/C6TC05076J

data_7236454
_publ_section_title
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 Adamantane substitutions: a path to high-performing, soluble, versatile
 and sustainable organic semiconducting materials
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_journal_issue                   19
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4716
_journal_paper_doi               10.1039/C6TC05076J
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C38 H44 N2 O2 S2'
_chemical_formula_weight         624.87
_space_group_crystal_system      monoclinic
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_audit_update_record
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2017-04-04 deposited with the CCDC.
2017-04-13 downloaded from the CCDC.
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_cell_angle_alpha                90
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CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
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_computing_data_collection
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CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
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CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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Rigaku Saturn724+ (2x2 bin mode)
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_diffrn_measurement_method       'profile data from \w-scans'
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CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
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_exptl_crystal_colour            orange
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_refine_ls_shift/su_mean         0.000
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;
 w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+0.7500P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2533
_reflns_number_total             2710
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6tc05076j2.cif
_cod_data_source_block           0330
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_original_cell_volume        1551.74(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7236454
_shelxl_version_number           2013-2
_shelx_res_checksum              83970