Information card for entry 7211143

Structure parameters

• Formula: C21 H18 N2 O7
• Calculated formula: C21 H18 N2 O7
• SMILES: o1cc(c(=O)c2c(O)cc(O)cc12)c1ccc(O)cc1.n1cc(ccc1)C(=O)N.O
• Title of publication: Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization
• Authors of publication: Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 7696
• a: 3.78 ± 0.002 Å
• b: 41.196 ± 0.01 Å
• c: 11.65 ± 0.004 Å
• α: 90°
• β: 92.69 ± 0.03°
• γ: 90°
• Cell volume: 1812.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No