Information card for entry 7106288

Structure parameters

• Formula: C21 H20 O6
• Calculated formula: C21 H20 O6
• SMILES: O/C(=C\C(=O)/C=C/c1cc(OC)c(O)cc1)/C=C/c1ccc(O)c(OC)c1
• Title of publication: New polymorphs of curcumin
• Authors of publication: Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5013
• a: 12.536 ± 0.003 Å
• b: 7.9916 ± 0.0017 Å
• c: 34.462 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3452.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.2681
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No