Crystallography Open Database

Information card for entry 4505792

Preview

Coordinates	4505792.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nabumatone Form II
Formula	C15 H16 O2
Calculated formula	C15 H16 O2
Title of publication	Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone
Authors of publication	Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	6
Pages of publication	505
a	26.9485 ± 0.0004 Å
b	5.8773 ± 0.0004 Å
c	7.896 ± 0.0018 Å
α	90°
β	91.767 ± 0.003°
γ	90°
Cell volume	1250 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179593 (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 4/50/57.	4505792.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505792.cif
53922	2012-04-20	cif/ Adding structures of 4505791, 4505792 via cif-deposit CGI script.	4505792.cif