Crystallography Open Database

Information card for entry 8103262

Preview

Coordinates	8103262.cif
External links	PubChem

Structure parameters

Chemical name	3-cyclohexyl-1,3-oxazinan-2-one
Formula	C10 H17 N O2
Calculated formula	C10 H17 N O2
Title of publication	Crystal structure of 3-cyclohexyl-1,3-oxazinan-2-one, C10H17NO2
Authors of publication	Ana Miltojeviƒ; Niko Radulovic; Rastko D. Vukicevic; Srecko Trifunovic; Horst Borrmann
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	651
a	10.1872 ± 0.001 Å
b	9.8426 ± 0.0008 Å
c	10.7655 ± 0.0011 Å
α	90°
β	113.589 ± 0.004°
γ	90°
Cell volume	989.24 ± 0.16 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
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	0.0672
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation probe	x-ray
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8103262.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103262.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103262.cif
32604	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103262 via cif-deposit CGI script.	8103262.cif