Information card for entry 2009167

Structure parameters

• Chemical name: 1,5-Diphenylpentane-2,4-dione
• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: OC(=CC(=O)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione
• Authors of publication: Pulkkinen, Juha T.; Ahlgrén, Markku J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: IUC9900142
• a: 28.91 ± 0.003 Å
• b: 5.519 ± 0.001 Å
• c: 8.601 ± 0.002 Å
• α: 90°
• β: 95.25 ± 0.01°
• γ: 90°
• Cell volume: 1366.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No