Crystallography Open Database

Information card for entry 1565383

Preview

Coordinates	1565383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H7 Cl4 N2 S
Calculated formula	C13.5 H7 Cl4 N2 S
Title of publication	A short, versatile route towards benzothiadiazinyl radicals.
Authors of publication	Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
Journal of publication	Chemical science
Year of publication	2021
Journal volume	13
Journal issue	1
Pages of publication	149 - 158
a	16.7712 ± 0.0003 Å
b	13.1359 ± 0.0002 Å
c	13.0495 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2874.87 ± 0.08 Å³
Cell temperature	100 ± 0.7 K
Ambient diffraction temperature	100 ± 0.7 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272564 (current)	2022-02-04	cif/ Updating files of 1565368, 1565369, 1565370, 1565371, 1565372, 1565373, 1565374, 1565375, 1565376, 1565377, 1565378, 1565379, 1565380, 1565381, 1565382, 1565383, 1565384, 1565385 Original log message: Adding full bibliography for 1565368--1565385.cif.	1565383.cif
270841	2021-11-24	cif/ Adding structures of 1565368, 1565369, 1565370, 1565371, 1565372, 1565373, 1565374, 1565375, 1565376, 1565377, 1565378, 1565379, 1565380, 1565381, 1565382, 1565383, 1565384, 1565385 via cif-deposit CGI script.	1565383.cif