Crystallography Open Database

Information card for entry 7242512

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Coordinates	7242512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cl N O4 S
Calculated formula	C25 H22 Cl N O4 S
Title of publication	Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides
Authors of publication	Liu, Chengkou; Lin, Yang; Cai, Chen; Yuan, Chengcheng; Fang, Zheng; Guo, Kai
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	8
Pages of publication	2956 - 2961
a	12.3598 ± 0.0005 Å
b	12.8606 ± 0.0005 Å
c	15.4574 ± 0.0006 Å
α	81.976 ± 0.001°
β	75.455 ± 0.001°
γ	70.669 ± 0.001°
Cell volume	2239.9 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1813
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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