Information card for entry 4501116

Structure parameters

• Formula: C27 H26 O9
• Calculated formula: C27 H26 O9
• SMILES: OC(\C=C\c1cc(OC)c(O)cc1)=CC(=O)/C=C/c1ccc(c(OC)c1)O.Oc1c(O)cccc1O
• Title of publication: Fast Dissolving Curcumin Cocrystals
• Authors of publication: Sanphui, Palash; Goud, N. Rajesh; Khandavilli, U. B. Rao; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4135
• a: 7.3706 ± 0.0006 Å
• b: 15.8001 ± 0.001 Å
• c: 19.8972 ± 0.0014 Å
• α: 90°
• β: 92.933 ± 0.007°
• γ: 90°
• Cell volume: 2314.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No