Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations
Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd; New Journal of Chemistry 43 (2019) 15743–; doi:10.1039/C9NJ02798J

data_7058974
_publ_section_title
;
 Ligand's electronegativity controls the sense of enantioselectivity in
 BIFOP-X palladium-catalyzed allylic alkylations
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15743
_journal_paper_doi               10.1039/C9NJ02798J
_journal_volume                  43
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C35 H45 Cl F O2 P Pd'
_chemical_formula_sum            'C35 H45 Cl F O2 P Pd'
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_space_group_crystal_system      orthorhombic
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_space_group_name_H-M_alt        'P 21 21 21'
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;
2018-12-20 deposited with the CCDC.	2019-09-09 downloaded from the CCDC.
;
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;
SHELXL-2014/7 (Sheldrick, 2014)
SHELXLE (C. B. Huebschle 2016)'
;
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_diffrn_source                   'micro focus'
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;
 Flack x determined using 2504 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.087(3)
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_refine_ls_R_factor_all          0.0227
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0381P)^2^+0.6232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6000
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_cod_original_cell_volume        3133.2(14)
_cod_database_code               7058974
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.364
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_shelx_res_checksum              10142