Crystallography Open Database

Information card for entry 1569939

Preview

Coordinates	1569939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N O3 S
Calculated formula	C28 H25 N O3 S
SMILES	S(=O)(=O)(CC(N=C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1)c1ccccc1
Title of publication	Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.
Authors of publication	Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	40
Pages of publication	11170 - 11179
a	13.7117 ± 0.0003 Å
b	9.235 ± 0.0002 Å
c	18.8993 ± 0.0004 Å
α	90°
β	100.434 ± 0.001°
γ	90°
Cell volume	2353.6 ± 0.09 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.5 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	0.0688
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
287320 (current)	2023-11-06	cif/ Updating files of 1569937, 1569938, 1569939, 1569940 Original log message: Adding full bibliography for 1569937--1569940.cif.	1569939.cif
286513	2023-09-26	cif/ Adding structures of 1569937, 1569938, 1569939, 1569940 via cif-deposit CGI script.	1569939.cif