Information card for entry 2000642

Structure parameters

• Chemical name: 1,4-Dibenzoylbenzene
• Formula: C20 H14 O2
• Calculated formula: C20 H14 O2
• SMILES: O=C(c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1
• Title of publication: 1,4-Dibenzoylbenzene
• Authors of publication: Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1715 - 1717
• a: 6.532 ± 0.004 Å
• b: 7.387 ± 0.006 Å
• c: 8.743 ± 0.007 Å
• α: 70.23 ± 0.06°
• β: 83.25 ± 0.06°
• γ: 66.32 ± 0.05°
• Cell volume: 363.5 ± 0.5 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 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: 0.039
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No