Crystallography Open Database

Information card for entry 1560130

Preview

Coordinates	1560130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O3 S Se
Calculated formula	C22 H19 N O3 S Se
SMILES	[Se](CC1N(S(=O)(=O)c2ccc(cc2)C)C(=O)c2ccccc12)c1ccccc1
Title of publication	The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides
Authors of publication	Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	2299 - 2305
a	5.8297 ± 0.0004 Å
b	16.2078 ± 0.001 Å
c	20.9813 ± 0.0013 Å
α	90°
β	93.402 ± 0.003°
γ	90°
Cell volume	1979 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.01 K
Number of distinct elements	6
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	0.065
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263614 (current)	2021-04-05	cif/ Updating files of 1560129, 1560130 Original log message: Adding full bibliography for 1560129--1560130.cif.	1560130.cif
261126	2021-01-22	cif/ Adding structures of 1560129, 1560130 via cif-deposit CGI script.	1560130.cif