Crystallography Open Database

Information card for entry 7124452

Preview

Coordinates	7124452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 F4
Calculated formula	C16 H12 F4
Title of publication	Unexpected a,a’-difluoroethers from Ag(I)F and N-bromosuccinimide reactions of dibenzo[a,e]cyclooctatetraene
Authors of publication	Fang, Zeguo; Gillatt, Roscoe; Slawin, Alexandra; Cordes, David Bradford; Carpenter-Warren, Cameron L.; O'Hagan, David
Journal of publication	Chemical Communications
Year of publication	2019
a	12.7703 ± 0.0004 Å
b	7.4822 ± 0.0002 Å
c	13.8047 ± 0.0005 Å
α	90°
β	110.433 ± 0.004°
γ	90°
Cell volume	1236.05 ± 0.08 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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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