Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.
Jungbauer, Stefan H.; Huber, Stefan M.; Journal of the American Chemical Society 137 (2015) 12110–12120; doi:10.1021/jacs.5b07863

data_4124460
_publ_section_title
;
 Cationic Multidentate Halogen-Bond Donors in Halide Abstraction
 Organocatalysis: Catalyst Optimization by Preorganization.
;
_journal_issue                   37
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12110
_journal_page_last               12120
_journal_paper_doi               10.1021/jacs.5b07863
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         '2(C14 H14 I2 N4 Cl2), (CH3CN)'
_chemical_formula_sum            'C30 H31 Cl4 I4 N9'
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_audit_update_record
;
2015-03-30 # Formatted by publCIF

;
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_diffrn_ambient_temperature      170(2)
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;
 [X-Red (Stoe & Cie, 2001) and X-Shape (Stoe & Cie, 1999)]
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0374P)^2^+1.6106P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 4124460--4124462.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4124460
_publcif_datablock.id            {0debf4db-a034-482f-b8a8-fc0ea8985ade}
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