Crystallography Open Database

Information card for entry 7241699

Preview

Coordinates	7241699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Na O6 S
Calculated formula	C13 H11 Na O6 S
Title of publication	Sustainable access to sulfonic acids from halides and thiourea dioxide with air
Authors of publication	Zhang, Hui; Wang, Ming; Jiang, Xuefeng
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	23
Pages of publication	8238 - 8242
a	16.2484 ± 0.0001 Å
b	11.3597 ± 0.0001 Å
c	8.2456 ± 0.0001 Å
α	90°
β	100.148 ± 0.001°
γ	90°
Cell volume	1498.14 ± 0.02 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0733
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260798 (current)	2021-01-07	cif/ Updating files of 7241699 Original log message: Adding full bibliography for 7241699.cif.	7241699.cif
259648	2020-12-08	cif/ Adding structures of 7241699 via cif-deposit CGI script.	7241699.cif