Crystallography Open Database

Information card for entry 7135180

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Coordinates	7135180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 Br2 N O S
Calculated formula	C26 H19 Br2 N O S
Title of publication	Regioselective Functionalization of Sulfenamides: S-Arylation with Cyclic Diaryl λ3 -Bromanes and λ3 -Chloranes
Authors of publication	Chen, Jiahong; Huang, Yuanyuan; Wang, Nan; Wang, Mengke; Huang, Weichun; Wu, Xin-Xing; Xu, Xiao-Ping; Zi, You
Journal of publication	Chemical Communications
Year of publication	2025
a	8.2318 ± 0.0001 Å
b	10.8621 ± 0.0001 Å
c	13.1254 ± 0.0002 Å
α	78.435 ± 0.001°
β	79.26 ± 0.001°
γ	79.268 ± 0.001°
Cell volume	1116.05 ± 0.02 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0323
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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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