Crystallography Open Database

Information card for entry 7239713

Preview

Coordinates	7239713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 O4 S Se
Calculated formula	C23 H20 O4 S Se
Title of publication	General sulfone construction via sulfur dioxide surrogate control
Authors of publication	Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	322 - 326
a	8.486 ± 0.001 Å
b	15.1787 ± 0.0018 Å
c	16.604 ± 0.002 Å
α	90°
β	97.43 ± 0.004°
γ	90°
Cell volume	2120.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0582
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
257593 (current)	2020-10-06	cif/ Updating files of 7239713, 7239714 Original log message: Adding full bibliography for 7239713--7239714.cif.	7239713.cif
247761	2020-02-04	cif/ Updating files of 7239713, 7239714 Original log message: Adding full bibliography for 7239713--7239714.cif.	7239713.cif
246386	2020-01-01	cif/ Adding structures of 7239713, 7239714 via cif-deposit CGI script.	7239713.cif