Crystallography Open Database

Information card for entry 7133357

Preview

Coordinates	7133357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 O S2
Calculated formula	C20 H16 O S2
Title of publication	Tunable electrochemical diverse sulfurization of sulfoxonium ylides with disulfides.
Authors of publication	Hu, Xinwei; Zhong, Kaihui; Ruan, Zhixiong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8573 - 8576
a	10.0077 ± 0.0005 Å
b	11.6105 ± 0.0005 Å
c	14.5031 ± 0.0007 Å
α	90°
β	99.121 ± 0.004°
γ	90°
Cell volume	1663.87 ± 0.14 Å³
Cell temperature	169.98 ± 0.1 K
Ambient diffraction temperature	169.98 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
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
294448 (current)	2024-09-06	cif/ Updating files of 7133357, 7133358 Original log message: Adding full bibliography for 7133357--7133358.cif.	7133357.cif
293440	2024-07-18	cif/ Adding structures of 7133357, 7133358 via cif-deposit CGI script.	7133357.cif