Information card for entry 2231798

Structure parameters

• Chemical name: Diethyl 4,4'-(diazenediyl)dibenzoate
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: CCOC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)OCC
• Title of publication: Diethyl 4,4'-(diazenediyl)dibenzoate
• Authors of publication: Niu, Yongsheng; Huang, Jianping; Zhao, Chunpu; Gao, Pan; Yu, Youzhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2671
• a: 14.844 ± 0.003 Å
• b: 4.5731 ± 0.0009 Å
• c: 11.814 ± 0.002 Å
• α: 90°
• β: 95.88 ± 0.03°
• γ: 90°
• Cell volume: 797.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes