Crystallography Open Database

Information card for entry 1544348

Preview

Coordinates	1544348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 N O Si
Calculated formula	C11 H17 N O Si
SMILES	[Si](C)(C)(C)CNC(=O)c1ccccc1
Title of publication	Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides.
Authors of publication	Liu, Pei; Tang, Jinghua; Zeng, Xiaoming
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	5536 - 5539
a	10.178 ± 0.004 Å
b	10.104 ± 0.004 Å
c	12.72 ± 0.005 Å
α	90°
β	108.216 ± 0.006°
γ	90°
Cell volume	1242.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1578
Residual factor for significantly intense reflections	0.133
Weighted residual factors for significantly intense reflections	0.3229
Weighted residual factors for all reflections included in the refinement	0.353
Goodness-of-fit parameter for all reflections included in the refinement	1.261
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
187970 (current)	2016-11-06	cif/ Updating files of 1544348 Original log message: Adding full bibliography for 1544348.cif.	1544348.cif
187521	2016-10-25	cif/ Adding structures of 1544348 via cif-deposit CGI script.	1544348.cif