Palladium-Catalyzed Arylation of Fluoroalkylamines.
Brusoe, Andrew T.; Hartwig, John F.; Journal of the American Chemical Society 137 (2015) 8460–8468; doi:10.1021/jacs.5b02512

data_4124337
_publ_section_title
;
 Palladium-Catalyzed Arylation of Fluoroalkylamines.
;
_journal_issue                   26
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8460
_journal_page_last               8468
_journal_paper_doi               10.1021/jacs.5b02512
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C44 H44 F N4 O P Pd'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_refln_scan_rate          10
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_diffrn_source                   'microfocus sealed tube'
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          0.0351
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0141P)^2^+4.6585P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                5873
_reflns_number_total             6861
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b02512_si_001.cif
_cod_data_source_block           compound46
_cod_depositor_comments
;
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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_cod_database_code               4124337
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              47661
_shelx_hkl_checksum              16094