Information card for entry 7106287

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/c1cc(c(O)cc1)OC
• 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: 35.417 ± 0.003 Å
• b: 7.7792 ± 0.0007 Å
• c: 12.6482 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3484.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No