Information card for entry 2004016

Structure parameters

• Formula: C19 H20 O2
• Calculated formula: C19 H20 O2
• SMILES: CC(=O)C(C(=O)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: 3,3-Dibenzylpentane-2,4-dione, C~19~H~20~O~2~
• Authors of publication: Judas, N.; Kaitner, B.; Mestrovic, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2123 - 2125
• a: 10.817 ± 0.005 Å
• b: 12.62 ± 0.004 Å
• c: 11.502 ± 0.004 Å
• α: 90°
• β: 91.44 ± 0.02°
• γ: 90°
• Cell volume: 1569.6 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No