Crystallography Open Database

Information card for entry 2101134

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C26 H12 O6
Calculated formula	C26 H12 O6
SMILES	c1cc2ccc3c4c2c(c1)ccc4ccc3.O=C1OC(=O)c2c1cc1C(=O)OC(=O)c1c2
Title of publication	X-ray diffraction study of the crystal structure of the π-molecular compound pyrene^{···^}pyromellitic dianhydride at 19 K
Authors of publication	Herbstein, F. H.; Marsh, R. E.; Samson, S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1994
Journal volume	50
Journal issue	2
Pages of publication	174 - 181
a	13.664 ± 0.003 Å
b	9.281 ± 0.002 Å
c	14.42 ± 0.003 Å
α	90°
β	91.8 ± 0.02°
γ	90°
Cell volume	1827.8 ± 0.7 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.