Information card for entry 7211141

Structure parameters

• Formula: C28 H25 N4 O8.5
• Calculated formula: C28 H25 N4 O8.5
• 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: 7.629 ± 0.002 Å
• b: 33.472 ± 0.009 Å
• c: 10.073 ± 0.003 Å
• α: 90°
• β: 98.39 ± 0.03°
• γ: 90°
• Cell volume: 2544.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1186
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No