Crystallography Open Database

Information card for entry 7251672

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Coordinates	7251672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O3 S
Calculated formula	C14 H10 O3 S
Title of publication	Highly Enantioselective Epoxidation of Trisubstituted Vinyl Sulfones with H2O2 Catalyzed by a Bioinspired Manganese Catalyst
Authors of publication	Tong, Wanting; Chen, Yirui; Jin, Xinhang; Wu, Hangtao; Xu, Chaoran; Song, Dingguo; Ling, Fei; Zhong, Weihui
Journal of publication	Green Chemistry
Year of publication	2026
a	14.9751 ± 0.0005 Å
b	6.1259 ± 0.0002 Å
c	12.9261 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1185.79 ± 0.07 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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