Crystallography Open Database

Information card for entry 7243874

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Coordinates	7243874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N O4 S3
Calculated formula	C10 H13 N O4 S3
Title of publication	From symmetrical tetrasulfides to trisulfide dioxides via photocatalysis
Authors of publication	Gong, Kai; Zhou, Yilin; Jiang, Xuefeng
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	24
Pages of publication	9865 - 9869
a	12.8766 ± 0.0003 Å
b	6.3085 ± 0.0001 Å
c	16.9497 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1376.86 ± 0.05 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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

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