Information card for entry 2242723

Structure parameters

• Common name: Pyromellitic acid dianhydride‒9-methylanthracene (1/1)
• Chemical name: Pyromellitic acid dianhydride‒9-methylanthracene (1/1)
• Formula: C25 H14 O6
• Calculated formula: C25 H14 O6
• SMILES: c1(c2ccccc2cc2ccccc12)C.O=C1OC(=O)c2c1cc1C(=O)OC(=O)c1c2
• 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: 7.1012 ± 0.0008 Å
• b: 9.5674 ± 0.0012 Å
• c: 13.6147 ± 0.0016 Å
• α: 99.109 ± 0.004°
• β: 99.941 ± 0.004°
• γ: 92.219 ± 0.004°
• Cell volume: 897.53 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1148
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes