Crystallography Open Database

Information card for entry 4112749

Preview

Coordinates	4112749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.5 H11.5 N0.5
Calculated formula	C5.5 H11.5 N0.5
Title of publication	Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene
Authors of publication	Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8670 - 8671
a	15.7564 ± 0.0006 Å
b	10.855 ± 0.0009 Å
c	6.9155 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1182.8 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112749.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112749.cif
65162	2012-09-05	cif/ Adding structures of 4112749 via cif-deposit CGI script.	4112749.cif