Information card for entry 2201722

Structure parameters

• Chemical name: 1,5-diphenylpent-4-ene-1,3-dione
• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O=C(c1ccccc1)/C=C(O)/C=C/c1ccccc1
• Title of publication: 1,5-Diphenylpent-4-ene-1,3-dione
• Authors of publication: Arrieta, Antonio F.; Arvid Mostad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1301 - o1303
• a: 30.102 ± 0.006 Å
• b: 5.712 ± 0.001 Å
• c: 7.466 ± 0.002 Å
• α: 90°
• β: 93.97 ± 0.03°
• γ: 90°
• Cell volume: 1280.6 ± 0.5 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes