Crystallography Open Database

Information card for entry 7227862

Preview

Coordinates	7227862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N2 O2 Se
Calculated formula	C10 H10 N2 O2 Se
SMILES	c12ccc(cc1n[se]n2)C(=O)OC(C)C
Title of publication	Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin
Authors of publication	Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	27
Pages of publication	16721
a	16.35 ± 0.0007 Å
b	4.6387 ± 0.0002 Å
c	14.6202 ± 0.0006 Å
α	90°
β	102.521 ± 0.004°
γ	90°
Cell volume	1082.46 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194293 (current)	2017-03-16	cif/ Adding structures of 7227861, 7227862, 7227863 via cif-deposit CGI script.	7227862.cif