Information card for entry 1501794

Structure parameters

• Formula: C24 H24 N4 O10
• Calculated formula: C24 H24 N4 O10
• SMILES: O1C(=C(O)C(=O)c2c(O)cc(O)cc12)c1cc(O)c(O)cc1.O=C1N(C(=O)N(c2ncn(c12)C)C)C.OC
• Title of publication: Cocrystals of quercetin with improved solubility and oral bioavailability.
• Authors of publication: Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2011
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1867 - 1876
• a: 10.3089 ± 0.0003 Å
• b: 14.8531 ± 0.0004 Å
• c: 15.1994 ± 0.0005 Å
• α: 90°
• β: 100.612 ± 0.002°
• γ: 90°
• Cell volume: 2287.51 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No