Crystallography Open Database

Information card for entry 1577097

Preview

Coordinates	1577097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 F N
Calculated formula	C38 H24 F N
Title of publication	Rhodium-Catalyzed Atroposelective C-H Fluoroallylation of Heteroarenes with gem-Difluocyclopropanes
Authors of publication	Li, Junwei; Wang, Fen; He, Xian; Huang, Genping; Rong, Zi-Qiang; Li, Xingwei
Journal of publication	Chemical Science
Year of publication	2026
a	8.5176 ± 0.0004 Å
b	7.522 ± 0.0004 Å
c	20.2681 ± 0.0011 Å
α	90°
β	101.123 ± 0.003°
γ	90°
Cell volume	1274.17 ± 0.11 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1577097.html