Information card for entry 2209405

Structure parameters

• Chemical name: (1E,3E)-4-(Tetra-O-acetyl-D-arabino-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza- 1,3-butadiene
• Formula: C21 H26 N2 O8
• Calculated formula: C21 H26 N2 O8
• SMILES: O([C@H]([C@H](OC(=O)C)COC(=O)C)[C@H](OC(=O)C)/C=C/N=Nc1ccc(cc1)C)C(=O)C
• Title of publication: (1<i>E</i>,3<i>E</i>)-4-(Tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza-1,3-butadiene
• Authors of publication: María Jesús Diánez; María Dolores Estrada; Simeón Pérez-Garrido
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2811 - o2812
• a: 14.065 ± 0.001 Å
• b: 30.189 ± 0.002 Å
• c: 5.6414 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2395.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes