Information card for entry 7218270

Structure parameters

• Formula: C31 H30 N8 O10
• Calculated formula: C31 H30 N8 O10
• SMILES: o1c(c(O)c(=O)c2ccc(O)cc12)c1cc(O)c(O)cc1.O=C1N(C)C(=O)c2n(cnc2N1C)C.O=C1N(C)C(=O)c2n(cnc2N1C)C
• Title of publication: Improving solubility of fisetin by cocrystallization
• Authors of publication: Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 10592
• a: 7.553 ± 0.002 Å
• b: 14.247 ± 0.005 Å
• c: 15.149 ± 0.005 Å
• α: 66.25 ± 0.04°
• β: 79.39 ± 0.03°
• γ: 81.05 ± 0.03°
• Cell volume: 1460.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No