Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.
Romney, David K.; Colvin, Sean M.; Miller, Scott J.; Journal of the American Chemical Society 136 (2014) 14019–; doi:10.1021/ja508757g

data_4122703
_publ_contact_author
;
 Prof. Scott J. Miller         
 The Department of Chemistry 
 Yale University 
 P. O. Box 208107 
 New Haven 
 Connecticut 06520 USA.
;
_publ_section_title
;
 Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger
 Oxidations of Functionalized Ketones.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14019
_journal_paper_doi               10.1021/ja508757g
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C14 H17 N O2'
_chemical_formula_sum            'C14 H17 N O2'
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_computing_molecular_graphics
;
Dolomanov, O.V.; Bourhis, L.J.; Gildea, R.J.; Howard, J.A.K.; Puschmann, H., 
OLEX2: A complete structure solution, refinement and analysis program
(2009). J. Appl. Cryst., 42, 339-341.
;
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_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Plate
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_refine_ls_number_reflns         2241
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_refine_ls_R_factor_all          0.1079
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0794P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1540
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_reflns_number_gt                1195
_reflns_number_total             2241
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4122703--4122704.cif.'
_cod_database_code               4122703
_shelx_estimated_absorpt_t_min   0.878
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_shelx_res_checksum              45871
_shelx_hkl_checksum              54775