Crystallography Open Database

Information card for entry 1576242

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Coordinates	1576242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 F2 N O2 S
Calculated formula	C15 H13 F2 N O2 S
Title of publication	Cis-Difluoromethyl Hetarylative Dearomatization by Radical Docking-Migration Cascade
Authors of publication	Wang, Jie; Kang, Hao; Yang, Shan; Zhu, Cao; Chen, Xiangyang; Zhu, Chen
Journal of publication	Chemical Science
Year of publication	2025
a	5.4759 ± 0.0001 Å
b	10.6882 ± 0.0002 Å
c	12.1415 ± 0.0003 Å
α	92.345 ± 0.001°
β	96.685 ± 0.001°
γ	101.692 ± 0.001°
Cell volume	689.61 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0364
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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