Crystallography Open Database

Information card for entry 1553231

Preview

Coordinates	1553231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O5
Calculated formula	C23 H18 N2 O5
SMILES	O=C1O[C@](C(=O)N1c1ccccc1)(c1ccccc1)[C@H](CN(=O)=O)c1ccccc1
Title of publication	Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids
Authors of publication	Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	4
Pages of publication	470
a	7.6839 ± 0.0002 Å
b	11.0556 ± 0.0003 Å
c	12.4153 ± 0.0004 Å
α	90°
β	106.486 ± 0.004°
γ	90°
Cell volume	1011.32 ± 0.05 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233724 (current)	2019-11-23	cif/ Adding structures of 1553231 via cif-deposit CGI script.	1553231.cif