Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones
Khake, Shrikant M.; Chatani, Naoto; ACS Catalysis  (2022) 4394–4401; doi:10.1021/acscatal.2c00854

data_4519375
_publ_section_title
;
 Rhodium(III)-Catalyzed Oxidative C--H Alkylation of Aniline Derivatives
 with Allylic Alcohols To Produce \b-Aryl Ketones
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              4394
_journal_page_last               4401
_journal_paper_doi               10.1021/acscatal.2c00854
_journal_year                    2022
_chemical_formula_moiety         'C15 H17 N3 O'
_chemical_formula_sum            'C15 H17 N3 O'
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_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.43a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cs2c00854_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file
'/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 7550 2019-12-06 10:49:48Z antanas 

The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
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_cod_original_cell_volume        642.1084
_cod_database_code               4519375