Information card for entry 2201031

Structure parameters

• Common name: 9,10-Dihydroanthracene-9,10-α,β-succinic acid anhydride
• Chemical name: 5,6:7,8-dibenzobicyclo[2.2.2]octa-5,7-diene-2,3-dicarboxylic acid anhydride
• Formula: C18 H12 O3
• Calculated formula: C18 H12 O3
• SMILES: O=C1OC(=O)[C@H]2[C@@H]1C1c3ccccc3C2c2ccccc12
• Title of publication: A new polymorph of 9,10-dihydroanthracene-9,10-α,β-succinic acid anhydride
• Authors of publication: Díaz de Delgado, Graciela; Ramírez V., Belkis; Velásquez, William; Rodríguez, Pedro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o501 - o503
• a: 15.41 ± 0.002 Å
• b: 9.402 ± 0.0012 Å
• c: 11.0939 ± 0.0015 Å
• α: 90°
• β: 124.235 ± 0.01°
• γ: 90°
• Cell volume: 1328.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes