Crystallography Open Database

Information card for entry 7242511

Preview

Coordinates	7242511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 O3
Calculated formula	C3 H6 O3
SMILES	O=C(O)[C@@H](O)C
Title of publication	Ambient l-lactic acid crystal polymorphism
Authors of publication	Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	14
Pages of publication	2644 - 2647
a	5.759 ± 0.003 Å
b	5.772 ± 0.003 Å
c	12.492 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	415.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
265977 (current)	2021-06-05	cif/ Updating files of 7242509, 7242510, 7242511 Original log message: Adding full bibliography for 7242509--7242511.cif.	7242511.cif
263279	2021-03-24	cif/ Adding structures of 7242509, 7242510, 7242511 via cif-deposit CGI script.	7242511.cif