Information card for entry 8107288

Structure parameters

• Formula: C31 H32 N4 O4
• Calculated formula: C31 H32 N4 O4
• SMILES: OC.N(/N=C(\C(=N/NC(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)C(=O)c1ccc(cc1)C.O
• Title of publication: Crystal structure of N′,N‴-((1E,2E)-1,2-diphenylethane-1,2-diylidene)bis(4-methylbenzohydrazide) – water – methanol (1/1/1), C31H32N4O4
• Authors of publication: Zhang, Zhijian; Jiang, Wujiu; Zhang, Fuxing; Li, Aodian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1043 - 1045
• a: 23.938 ± 0.002 Å
• b: 9.1931 ± 0.0008 Å
• c: 12.6327 ± 0.001 Å
• α: 90°
• β: 91.828 ± 0.007°
• γ: 90°
• Cell volume: 2778.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No