Crystallography Open Database

Information card for entry 7107747

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Coordinates	7107747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H10
Calculated formula	C80.12 H10
Title of publication	'Corannulene and its pentaalkylated derivative form stable solid-state complexes with pristine C60-fullerene'
Authors of publication	Louise N. Dawe; Tayel AlHujran; Ahn-Huu Tran; Jason I. Mercer; Edward A. Jackson; Lawrence T.Scott; Paris E. Georghiou
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	5563
a	13.0695 ± 0.001 Å
b	18.6034 ± 0.0015 Å
c	17.3068 ± 0.0013 Å
α	90°
β	110.768 ± 0.008°
γ	90°
Cell volume	3934.5 ± 0.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	2
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	0.1897
Residual factor for significantly intense reflections	0.1551
Weighted residual factors for significantly intense reflections	0.4545
Weighted residual factors for all reflections included in the refinement	0.4859
Goodness-of-fit parameter for all reflections included in the refinement	2.112
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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