Crystallography Open Database

Information card for entry 7051205

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Structure parameters

Chemical name	perfluoronaphthalene pyrene complex (1:1)
Formula	C26 H10 F8
Calculated formula	C26 H10 F8
SMILES	c1(c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F)F.c1cc2c3c(c1)ccc1cccc(cc2)c31
Title of publication	Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons
Authors of publication	Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.
Journal of publication	New Journal of Chemistry
Year of publication	2001
Journal volume	25
Journal issue	11
Pages of publication	1410 - 1417
a	6.725 ± 0.001 Å
b	8.864 ± 0.001 Å
c	9.488 ± 0.001 Å
α	107.51 ± 0.01°
β	105.23 ± 0.01°
γ	106.82 ± 0.01°
Cell volume	476.9 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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