Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and AzaBODIPY-(BODIPY)<sub>2</sub> Triads.
Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli; The Journal of organic chemistry 82 (2017) 6568–6577; doi:10.1021/acs.joc.7b00542

data_4037489
_publ_section_title
;
 Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and
 AzaBODIPY-(BODIPY)<sub>2</sub> Triads.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6568
_journal_page_last               6577
_journal_paper_doi               10.1021/acs.joc.7b00542
_journal_volume                  82
_journal_year                    2017
_chemical_formula_moiety         'C52 H36 B3 F6 N7'
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_space_group_name_Hall           '-C 2yc'
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Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
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_diffrn_radiation_type           MoK\a
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'w=1/[\s^2^(Fo^2^)+(0.0460P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Numerical' was
changed to 'numerical' 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_database_code               4037489
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_max   0.983
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C22(H22), C12(H12), C25(H25), C7(H7), C24(H24), C13(H13),
 C3(H3), C4(H4), C21(H21), C20(H20), C17(H17), C19(H19), C18(H18)
2.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C)
;
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_olex2_submission_special_instructions 'No special instructions were received'