Crystallography Open Database

Information card for entry 4110735

Preview

Coordinates	4110735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 O2
Calculated formula	C14 H20 O2
Title of publication	Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions
Authors of publication	Stephen B. Lee; Anthony C. Willis; Richard D. Webster
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9332 - 9333
a	9.0787 ± 0.0002 Å
b	10.7742 ± 0.0003 Å
c	13.2895 ± 0.0003 Å
α	91.1222 ± 0.0016°
β	103.464 ± 0.0014°
γ	97.1591 ± 0.0016°
Cell volume	1252.75 ± 0.05 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for all reflections	0.0982
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	0.9001
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
178878 (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 4/11/07.	4110735.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110735.cif
59557	2012-06-12	cif/ Adding structures of 4110735 via cif-deposit CGI script.	4110735.cif