Information card for entry 2005675

Structure parameters

• Common name: 2,6-dibenzoylhydroquinone
• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: O=C(c1ccccc1)c1c(O)c(cc(O)c1)C(=O)c1ccccc1
• Title of publication: 2,6-Dibenzoylhydroquinone
• Authors of publication: Biradha, K.; Desiraju, G. R.; Carrell, H. L.; Katz, A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2839 - 2841
• a: 8.031 ± 0.001 Å
• b: 13.161 ± 0.001 Å
• c: 14.477 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1530.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1441
• Weighted residual factors for significantly intense reflections: 0.1335
• Goodness-of-fit parameter for all reflections: 0.711
• Goodness-of-fit parameter for significantly intense reflections: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No