Crystallography Open Database

Information card for entry 7240811

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Structure parameters

Formula	C14 H12 F8 O2
Calculated formula	C14 H12 F8 O2
SMILES	c1(ccc(c2c1C(C(C(C2(F)F)(F)F)(F)F)(F)F)OCC)OCC
Title of publication	Electrochemically driven, cobalt–carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X
Authors of publication	Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	42
Pages of publication	24862 - 24866
a	9.7335 ± 0.0007 Å
b	19.26 ± 0.002 Å
c	15.5646 ± 0.0018 Å
α	90°
β	94.317 ± 0.008°
γ	90°
Cell volume	2909.6 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240811.cif
258027	2020-10-06	cif/ Updating files of 7240808, 7240809, 7240810, 7240811 Original log message: Adding full bibliography for 7240808--7240811.cif.	7240811.cif
253602	2020-07-01	cif/ Adding structures of 7240808, 7240809, 7240810, 7240811 via cif-deposit CGI script.	7240811.cif