Crystallography Open Database

Information card for entry 1546464

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Coordinates	1546464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H27 F2 N O Si
Calculated formula	C13 H27 F2 N O Si
SMILES	[Si](C(F)(F)CCC(=O)N(C(C)C)C(C)C)(C)(C)C
Title of publication	Radical Silyldifluoromethylation of Electron-Deficient Alkenes.
Authors of publication	Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	12
Pages of publication	3215 - 3218
a	11.8766 ± 0.0006 Å
b	11.7308 ± 0.0006 Å
c	23.6382 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3293.3 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198404 (current)	2017-07-05	cif/ Adding structures of 1546464 via cif-deposit CGI script.	1546464.cif