Crystallography Open Database

Information card for entry 4503126

Preview

Coordinates	4503126.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cyclohexene-III
Formula	C6 H10
Calculated formula	C6 H10
Title of publication	Crystal Structures and Glassy Phase Transition Behavior of Cyclohexene
Authors of publication	Ibberson, Richard M.; Telling, Mark T. F.; Parsons, Simon
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	512
a	10.699 ± 0.007 Å
b	10.232 ± 0.007 Å
c	9.759 ± 0.007 Å
α	90°
β	90.673 ± 0.013°
γ	90°
Cell volume	1068.3 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	2
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	0.0615
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503126.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503126.cif
41368	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503126 via cif-deposit CGI script.	4503126.cif