Crystallography Open Database

Information card for entry 1567735

Preview

Coordinates	1567735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H5 N O2
Calculated formula	C2 H5 N O2
SMILES	[O-]C(=O)C[NH3+]
Title of publication	Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy
Authors of publication	Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua
Journal of publication	Crystals
Year of publication	2022
Journal volume	12
Journal issue	10
Pages of publication	1342
a	6.9848 ± 0.0003 Å
b	6.9848 ± 0.0003 Å
c	5.4744 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	231.3 ± 0.016 Å³
Cell temperature	100 ± 0.7 K
Ambient diffraction temperature	100 ± 0.7 K
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278483 (current)	2022-10-07	cif/ Adding structures of 1567735 via cif-deposit CGI script.	1567735.cif