Crystallography Open Database

Information card for entry 7248360

Preview

Coordinates	7248360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N O3 P S
Calculated formula	C19 H18 N O3 P S
SMILES	s1c(P(=O)(c2ccccc2)c2ccccc2)nc(c1C(=O)OCC)C
Title of publication	Inorganic ligand-supported Mo oxide as a hydrogen atom transfer photocatalyst for direct C(sp2)–H phosphorylation
Authors of publication	Jiang, Zeqi; Jiang, Shuangfei; Gao, Jin; Xia, Junmei; Yu, Hongwei; Ma, Lixin; Chen, Xi; Chen, Bo; Zhang, Xinghua; Zhu, Wenchao
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	9
Pages of publication	5538 - 5545
a	17.3863 ± 0.0007 Å
b	8.7024 ± 0.0003 Å
c	12.251 ± 0.0005 Å
α	90°
β	102.256 ± 0.002°
γ	90°
Cell volume	1811.36 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.042
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
293166 (current)	2024-07-05	cif/ Updating files of 7248360 Original log message: Adding full bibliography for 7248360.cif.	7248360.cif
290705	2024-03-29	cif/ Adding structures of 7248360 via cif-deposit CGI script.	7248360.cif