Information card for entry 2200415

Structure parameters

• Chemical name: 2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone
• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: OC1=C(c2ccccc2)C(=O)C(=C(C1=O)c1ccccc1)O
• Title of publication: 2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)
• Authors of publication: Cohen, Peter A.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o596 - o598
• a: 7.323 ± 0.003 Å
• b: 26.98 ± 0.004 Å
• c: 6.897 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1362.7 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes