Information card for entry 8105552

Structure parameters

• Formula: C23 H17 N O4
• Calculated formula: C23 H17 N O4
• SMILES: O/C(=C\C(=O)c1nc(ccc1)C(=O)/C=C(\O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
• Authors of publication: Weng, Ai-Zhen; Quan, Hai-Yuan; Wang, Liu-Yang; She, Dong-Mei; Mei, Xiang-Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 91 - 93
• a: 26.3525 ± 0.0008 Å
• b: 3.8864 ± 0.0001 Å
• c: 34.8871 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3573.01 ± 0.18 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No