Information card for entry 2207605

Structure parameters

• Common name: α-benzyldibenzoylmethane
• Chemical name: 2-benzyl-1,3-diphenylpropane-1,3-dione
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: O=C(C(C(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: 2-Benzyl-1,3-diphenylpropane-1,3-dione
• Authors of publication: Nenad Judaš; Branko Kaitner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4008 - o4010
• a: 10.2935 ± 0.0006 Å
• b: 10.906 ± 0.0006 Å
• c: 15.409 ± 0.0007 Å
• α: 90°
• β: 98.562 ± 0.004°
• γ: 90°
• Cell volume: 1710.55 ± 0.16 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes