Crystallography Open Database

Information card for entry 8104935

Preview

Coordinates	8104935.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>N</i>-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide
Formula	C25 H20 N2 O2 Se2
Calculated formula	C25 H20 N2 O2 Se2
SMILES	[Se](c1cc(NC(=O)c2ncccc2)c(OC)cc1[Se]c1ccccc1)c1ccccc1
Title of publication	The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
Authors of publication	Wang, Lu-Yao; Wang, Qing; Zhang, Meng-Meng; Li, Ping-Ping; Guo, Xiao-Long
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	249 - 250
a	9.605 ± 0.0002 Å
b	9.7531 ± 0.0002 Å
c	13.2788 ± 0.0002 Å
α	75.13 ± 0.001°
β	81.824 ± 0.001°
γ	72.329 ± 0.002°
Cell volume	1142.75 ± 0.04 Å³
Cell temperature	294.45 ± 0.1 K
Ambient diffraction temperature	294.45 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
274098 (current)	2022-03-30	cif/ Adding structures of 8104935 via cif-deposit CGI script.	8104935.cif