Information card for entry 2242722

Structure parameters

• Common name: Pyromellitic acid dianhydride‒fluoranthene (1/1)
• Chemical name: Pyromellitic acid dianhydride‒fluoranthene (1/1)
• Formula: C26 H12 O6
• Calculated formula: C26 H12 O6
• SMILES: C1(=O)c2cc3C(=O)OC(=O)c3cc2C(=O)O1.c12c3c4c(c1cccc2)cccc4ccc3
• 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: 57.356 ± 0.009 Å
• b: 7.0172 ± 0.001 Å
• c: 9.3429 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3760.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes