Crystallography Open Database

Information card for entry 7245840

Preview

Coordinates	7245840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 O P S
Calculated formula	C18 H15 O P S
SMILES	P(=O)(Sc1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides
Authors of publication	Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	50
Pages of publication	32350 - 32354
a	6.19 ± 0.002 Å
b	8.426 ± 0.003 Å
c	16.517 ± 0.005 Å
α	100.248 ± 0.005°
β	96.034 ± 0.005°
γ	108.478 ± 0.005°
Cell volume	791.9 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0581
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
279306 (current)	2022-11-16	cif/ Adding structures of 7245840, 7245841 via cif-deposit CGI script.	7245840.cif