Crystallography Open Database

Information card for entry 4512763

Preview

Coordinates	4512763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 N O4
Calculated formula	C11 H13 N O4
Title of publication	4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation
Authors of publication	Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1362
a	24.642 ± 0.011 Å
b	11.524 ± 0.005 Å
c	7.871 ± 0.004 Å
α	90°
β	98.238 ± 0.01°
γ	90°
Cell volume	2212.1 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1225
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179675 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/27.	4512763.cif
134749	2015-04-04	cif/ Updating files of 4512763, 4512764, 4512765 Original log message: Adding full bibliography for 4512763--4512765.cif.	4512763.cif
132236	2015-02-22	cif/ Adding structures of 4512763 via cif-deposit CGI script.	4512763.cif