Crystallography Open Database

Information card for entry 4023351

Preview

Coordinates	4023351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 F16
Calculated formula	C16 F16
SMILES	Fc1c2c(F)c(F)c(c1F)C(F)(F)C(F)Fc1c(F)c(F)c(C(F)(F)C2(F)F)c(F)c1F
Title of publication	Synthesis of Perfluoro[2.2]paracyclophane
Authors of publication	Dolbier, Jr., William R.; Puhui Xie; Lianhao Zhang; Wei Xu; Ying Chang; Khalil A. Abboud
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	2469 - 2472
a	13.987 ± 0.0006 Å
b	8.8637 ± 0.0004 Å
c	11.7764 ± 0.0005 Å
α	90°
β	100.184 ± 0.002°
γ	90°
Cell volume	1437 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
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	0.0464
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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