Crystallography Open Database

Information card for entry 7245841

Preview

Coordinates	7245841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 O2 P
Calculated formula	C12 H11 O2 P
SMILES	P(=O)(O)(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	11.482 ± 0.003 Å
b	6.0814 ± 0.0017 Å
c	15.777 ± 0.005 Å
α	90°
β	99.883 ± 0.005°
γ	90°
Cell volume	1085.3 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.0841
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2407
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7245841.cif