Crystallography Open Database

Information card for entry 4109361

Preview

Coordinates	4109361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 N O W
Calculated formula	C19 H33 N O W
SMILES	[W]123456([c]7([c]5([c]3([c]1([c]27C)C)C)C)C)([CH](=[CH]4C)C6)(N=O)CC(C)(C)C
Title of publication	Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex
Authors of publication	Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5372 - 5373
a	9.0412 ± 0.0002 Å
b	14.243 ± 0.0003 Å
c	15.6092 ± 0.0004 Å
α	90°
β	105.103 ± 0.001°
γ	90°
Cell volume	1940.63 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0423
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109361.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109361.cif
58127	2012-05-25	cif/ Adding structures of 4109361 via cif-deposit CGI script.	4109361.cif