Information card for entry 2219000

Structure parameters

• Formula: C17 H17 F N2 O4
• Calculated formula: C17 H17 F N2 O4
• SMILES: c1(cc(c(c(c1)OC)OC)OC)C(=O)NN=Cc1ccc(cc1)F
• Title of publication: <i>N</i>'-(4-Fluorobenzylidene)-3,4,5-trimethoxybenzohydrazide
• Authors of publication: He, Dao-Hang; Zhu, Yong-Chuang; Yang, Zhuo-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1648
• a: 7.9194 ± 0.0004 Å
• b: 26.2496 ± 0.0013 Å
• c: 8.1271 ± 0.0004 Å
• α: 90°
• β: 105.547 ± 0.001°
• γ: 90°
• Cell volume: 1627.65 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes