Information card for entry 1516490

Structure parameters

• Common name: Flavanone 5
• Formula: C19 H14 O2
• Calculated formula: C19 H14 O2
• SMILES: O1C(CC(=O)c2c1ccc1ccccc21)c1ccccc1
• Title of publication: Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model
• Authors of publication: Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2003
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 914 - 920
• a: 26.9628 ± 0.0009 Å
• b: 15.3036 ± 0.0004 Å
• c: 6.9176 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2854.39 ± 0.15 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.049
• Weighted residual factors for all reflections: 0.123
• Goodness-of-fit parameter for all reflections: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No