Crystallography Open Database

Information card for entry 2242721

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Structure parameters

Common name	Pyromellitic acid dianhydride‒naphthalene (1/1)
Chemical name	Pyromellitic acid dianhydride‒naphthalene (1/1)
Formula	C20 H10 O6
Calculated formula	C20 H10 O6
SMILES	O=C1OC(=O)c2c1cc1C(=O)OC(=O)c1c2.c1cc2ccccc2cc1
Title of publication	Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds
Authors of publication	Hill, Tania N.; Lemmerer, Andreas
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	12
Pages of publication	1772 - 1777
a	9.1478 ± 0.0004 Å
b	12.8195 ± 0.0006 Å
c	6.7459 ± 0.0003 Å
α	90°
β	104.202 ± 0.003°
γ	90°
Cell volume	766.91 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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