Crystallography Open Database

Information card for entry 1569937

Preview

Coordinates	1569937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N O2 S
Calculated formula	C27 H21 N O2 S
SMILES	S(=O)(=O)(/C=C(\N=C(c1ccccc1)c1ccccc1)c1ccccc1)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	13.2324 ± 0.0006 Å
b	9.0288 ± 0.0004 Å
c	19.0515 ± 0.0009 Å
α	90°
β	96.874 ± 0.002°
γ	90°
Cell volume	2259.77 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	294.8 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	0.0765
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1569937.cif
286513	2023-09-26	cif/ Adding structures of 1569937, 1569938, 1569939, 1569940 via cif-deposit CGI script.	1569937.cif