Crystallography Open Database

Information card for entry 2018006

2018005 << 2018006 >> 2018007

Preview

Coordinates	2018006.cif
Original IUCr paper	HTML

Structure parameters

Common name	cyclopentanone
Chemical name	cyclopentan-1-one
Formula	C5 H8 O
Calculated formula	C5 H8 O
SMILES	O=C1CCCC1
Title of publication	Cyclopentanone and cyclobutanone
Authors of publication	Yufit, Dmitry S.; Howard, Judith A. K.
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	3
Pages of publication	o104 - o106
a	16.7421 ± 0.0016 Å
b	9.7941 ± 0.0008 Å
c	8.8898 ± 0.0007 Å
α	90°
β	93.69 ± 0.02°
γ	90°
Cell volume	1454.7 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018006.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018006.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2018006.cif
17415	2011-04-07	../uploads/cif-deposit/cod/cif Adding structures of 2018006, 2018007 via cif-deposit CGI script.	2018006.cif