Crystallography Open Database

Information card for entry 7249897

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Coordinates	7249897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 O2 S
Calculated formula	C23 H18 O2 S
Title of publication	Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes
Authors of publication	Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	9
Pages of publication	2386 - 2391
a	28.64 ± 0.02 Å
b	6.895 ± 0.005 Å
c	18.824 ± 0.015 Å
α	90°
β	95.56 ± 0.03°
γ	90°
Cell volume	3700 ± 5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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