Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.; Chemical Science 12 (2021) 4329–4337; doi:10.1039/D1SC00105A

data_1560243
_publ_section_title
;
 Towards the rational design of ylide-substituted phosphines for
 gold(i)-catalysis: from inactive to ppm-level catalysis
;
_journal_issue                   12
_journal_name_full               'Chemical Science'
_journal_page_first              4329
_journal_page_last               4337
_journal_paper_doi               10.1039/D1SC00105A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C38 H44 Au Cl O P2 + [solvent]'
_chemical_formula_sum            'C38 H44 Au Cl O P2'
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;
2020-02-10 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.40.20a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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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^)+(0.0511P)^2^+11.5262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           CS092_sq
_cod_depositor_comments
'Adding full bibliography for 1560241--1560250.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1560243
_shelx_shelxl_version_number     2018/3
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