Crystallography Open Database

Information card for entry 1570592

Preview

Coordinates	1570592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 F2
Calculated formula	C17 H14 F2
SMILES	FC(F)(c1ccccc1)C1=CCCc2c1cccc2
Title of publication	A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes.
Authors of publication	Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	5
Pages of publication	1752 - 1757
a	8.6715 ± 0.0001 Å
b	9.651 ± 0.0001 Å
c	15.2097 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1272.88 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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

Version history

Revision	Date	Message	Files
289402 (current)	2024-02-04	cif/ Updating files of 1570592 Original log message: Adding full bibliography for 1570592.cif.	1570592.cif
288513	2023-12-23	cif/ Adding structures of 1570592 via cif-deposit CGI script.	1570592.cif