Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.
Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin; Journal of the American Chemical Society 136 (2014) 15749–15756; doi:10.1021/ja5091035

data_4122849
_publ_section_title
;
 Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films
 via Post-deposition Processing.
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15749
_journal_page_last               15756
_journal_paper_doi               10.1021/ja5091035
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C48 H24'
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_chemical_name_systematic
;

 ?

;
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      125(2)
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_exptl_crystal_colour            BROWN
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0630P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2486
_reflns_number_total             4158
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_cod_data_source_file            ja5091035_si_002.cif
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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/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'EMPIRICAL'
changed to 'empirical' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/home/saulius/struct/COD-crude-data--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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4122848--4122849.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4122849