Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.
Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.; Journal of the American Chemical Society 137 (2015) 8633–8643; doi:10.1021/jacs.5b04899

data_4123867
_publ_section_title
;
 Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a
 Directing Group: Scope, Mechanism, and Origins of Selectivity.
;
_journal_issue                   26
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8633
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_journal_paper_doi               10.1021/jacs.5b04899
_journal_volume                  137
_journal_year                    2015
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0708P)^2^+6.5857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             33183
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b04899_si_002.cif
_cod_data_source_block           Complex3
_cod_depositor_comments
;Adding full bibliography for 4123866--4123867.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 
;
_cod_database_code               4123867
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