Crystallography Open Database

Information card for entry 2018007

2018006 << 2018007 >> 2018008

Preview

Coordinates	2018007.cif
Original IUCr paper	HTML

Structure parameters

Common name	cyclobutanone
Chemical name	cyclobutan-1-one
Formula	C4 H6 O
Calculated formula	C4 H6 O
SMILES	O=C1CCC1
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	15.5022 ± 0.0016 Å
b	9.0662 ± 0.0009 Å
c	8.6531 ± 0.0007 Å
α	90°
β	85.83 ± 0.03°
γ	90°
Cell volume	1212.9 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 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	0.0482
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	2018007.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018007.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2018007.cif
17415	2011-04-07	../uploads/cif-deposit/cod/cif Adding structures of 2018006, 2018007 via cif-deposit CGI script.	2018007.cif