Information card for entry 2203457

Structure parameters

• Formula: C20 H14 O2
• Calculated formula: C20 H14 O2
• SMILES: O=C1[C@H]2C3c4ccccc4C(c4ccccc34)[C@H]2C(=O)C=C1
• Title of publication: The Diels‒Alder adduct of <i>p</i>-benzoquinone and anthracene: 9,10-tetrahydro-9,10[1',2']benzenoanthracene-1',4'(2'<i>H</i>,3'<i>H</i>)-dione
• Authors of publication: Harry Adams; Isaac Ojea-Jimenez; Simon Jones
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o690 - o691
• a: 6.87 ± 0.003 Å
• b: 8.333 ± 0.004 Å
• c: 12.707 ± 0.005 Å
• α: 78.567 ± 0.007°
• β: 78.991 ± 0.007°
• γ: 79.361 ± 0.007°
• Cell volume: 691.7 ± 0.5 ų
• Cell temperature: 150 ± 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 significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes