Information card for entry 2226472

Structure parameters

• Chemical name: Dibutyl 5-[(4-ethoxycarbonylphenyl)diazenyl]benzene-1,3-dicarboxylate
• Formula: C25 H30 N2 O6
• Calculated formula: C25 H30 N2 O6
• SMILES: O(CCCC)C(=O)c1cc(C(=O)OCCCC)cc(N=Nc2ccc(cc2)C(=O)OCC)c1
• Title of publication: Dibutyl 5-[(4-ethoxycarbonylphenyl)diazenyl]benzene-1,3-dicarboxylate
• Authors of publication: Liu, Ying; Zhang, Xianxi; Xue, Zechun; Sheng, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1730
• a: 8.675 ± 0.002 Å
• b: 11.299 ± 0.003 Å
• c: 13.636 ± 0.003 Å
• α: 97.311 ± 0.003°
• β: 94.806 ± 0.003°
• γ: 109.793 ± 0.002°
• Cell volume: 1235.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes