Information card for entry 1558949

Structure parameters

• Common name: 1,7-diphenyl-4-propenyl-1,6-heptadiene-3,5-dione
• Formula: C22 H20 O2
• Calculated formula: C22 H20 O2
• Title of publication: Structural Studies of Curcuminoids. VII. Crystal and Molecular Structure of 1,7-diphenyl-4-propenyl-1,6-heptadiene-3,5-dione
• Authors of publication: Gorbitz, Carl Henrik; Mostad, Arvid
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 509 - 513
• a: 21.103 ± 0.004 Å
• b: 11.151 ± 0.002 Å
• c: 7.374 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1735.2 ± 0.5 ų
• Ambient diffraction temperature: 121 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 2.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No