Crystallography Open Database

Information card for entry 1571787

Preview

Coordinates	1571787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 F2 O2
Calculated formula	C18 H12 F2 O2
Title of publication	Divergent functionalization of alkenes enabled by photoredox activation of CDFA and α-halo carboxylic acids.
Authors of publication	Giri, Rahul; Zhilin, Egor; Katayev, Dmitry
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10659 - 10667
a	10.05628 ± 0.00017 Å
b	5.8382 ± 0.00012 Å
c	23.8712 ± 0.0004 Å
α	90°
β	100.565 ± 0.0017°
γ	90°
Cell volume	1377.73 ± 0.04 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 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	0.0412
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293758 (current)	2024-08-05	cif/ Updating files of 1571787 Original log message: Adding full bibliography for 1571787.cif.	1571787.cif
292235	2024-06-07	cif/ Adding structures of 1571787 via cif-deposit CGI script.	1571787.cif