Crystallography Open Database

Information card for entry 1570153

Preview

Coordinates	1570153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Cl F8 N O2 S
Calculated formula	C8 H4 Cl F8 N O2 S
Title of publication	Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ<sup>6</sup>-sulfanes to tetrafluoroethylene.
Authors of publication	Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	43
Pages of publication	12379 - 12385
a	8.9467 ± 0.0004 Å
b	10.7344 ± 0.0004 Å
c	12.9509 ± 0.0005 Å
α	90°
β	101.742 ± 0.004°
γ	90°
Cell volume	1217.74 ± 0.09 Å³
Cell temperature	169.98 ± 0.1 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	7
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	0.0639
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288725 (current)	2024-01-06	cif/ Updating files of 1570153 Original log message: Adding full bibliography for 1570153.cif.	1570153.cif
287039	2023-10-20	cif/ Adding structures of 1570153 via cif-deposit CGI script.	1570153.cif