Information card for entry 2004214

Structure parameters

• Formula: C15 H14 O
• Calculated formula: C15 H14 O
• SMILES: O=C(c1ccccc1)CCc1ccccc1
• Title of publication: 1,3-Diphenylpropan-1-one
• 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: 12
• Pages of publication: 2656 - 2658
• a: 8.854 ± 0.004 Å
• b: 9.832 ± 0.004 Å
• c: 27.11 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2360 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No