Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.
Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh; The journal of physical chemistry letters 7 (2016) 4751–4756; doi:10.1021/acs.jpclett.6b02310

data_8000354
_publ_section_title
;
 Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor
 and Acceptor Chromophores.
;
_journal_issue                   22
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              4751
_journal_page_last               4756
_journal_paper_doi               10.1021/acs.jpclett.6b02310
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C16 H9 Br'
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_cell_angle_gamma                90.000(5)
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_cell_measurement_theta_max      23.91
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0153P)^2^+0.7448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2\s(I)
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_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/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/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 
;
_cod_original_sg_symbol_H-M      'P2(1)2(1)2(1) '
_cod_database_code               8000354