Crystallography Open Database

Information card for entry 7227861

Preview

Coordinates	7227861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N2 O2 Se
Calculated formula	C10 H8.5 N2 O2 Se
SMILES	CCCOC(=O)c1ccc2c(c1)n[se]n2
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	21.9362 ± 0.0009 Å
b	4.53698 ± 0.00016 Å
c	23.8161 ± 0.0011 Å
α	90°
β	112.119 ± 0.005°
γ	90°
Cell volume	2195.83 ± 0.17 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
203412 (current)	2017-11-21	cif/7 Fixing Z values and formulae accordingly.	7227861.cif
194293	2017-03-16	cif/ Adding structures of 7227861, 7227862, 7227863 via cif-deposit CGI script.	7227861.cif