β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.
Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond; Journal of the American Chemical Society 139 (2017) 1325–1329; doi:10.1021/jacs.6b12569

data_4125561
_publ_section_title
;
 \b-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H
 Functionalization.
;
_journal_issue                   3
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_journal_page_last               1329
_journal_paper_doi               10.1021/jacs.6b12569
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0489P)^2^+1.7978P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b12569_si_004.cif
_cod_data_source_block           sarpong123
_cod_depositor_comments
;Adding full bibliography for 4125561.cif.

The following automatic conversions were performed:

'_space_group.centring_type' value 'primitive' was replaced with the
value 'P' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5642 2017-10-24 12:04:52Z antanas 
;
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