Crystallography Open Database

Information card for entry 4506723

Preview

Coordinates	4506723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 N2 O8
Calculated formula	C13 H16 N2 O8
Title of publication	Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals
Authors of publication	Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4562
a	12.6137 ± 0.001 Å
b	8.9398 ± 0.0007 Å
c	12.5452 ± 0.0008 Å
α	90°
β	103.58 ± 0.007°
γ	90°
Cell volume	1375.1 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0638
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179603 (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 4/50/67.	4506723.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506723.cif
71781	2013-01-21	cif/ Adding structures of 4506723 via cif-deposit CGI script.	4506723.cif