Crystallography Open Database

Information card for entry 7229993

Preview

Coordinates	7229993.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	L-malic acid
Formula	C4 H6 O5
Calculated formula	C4 H6 O5
SMILES	OC(=O)[C@@H](O)CC(=O)O
Title of publication	l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity
Authors of publication	Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	10
Pages of publication	1383
a	5.7343 ± 0.0006 Å
b	6.799 ± 0.0007 Å
c	6.9949 ± 0.0007 Å
α	90°
β	104.961 ± 0.001°
γ	90°
Cell volume	263.47 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
228893 (current)	2019-11-17	cif/ Updating files of 7229993 Original log message: Adding full bibliography for 7229993.cif.	7229993.cif
205342	2018-01-18	cif/ Adding structures of 7229993 via cif-deposit CGI script.	7229993.cif