Information card for entry 2014119

Structure parameters

• Common name: bis(ethyl-acetoacetate)ethylenediimine
• Chemical name: Diethyl 3,8-dimethyl-4,7-diazadec-2,8-dienedioate
• Formula: C14 H24 N2 O4
• Calculated formula: C14 H24 N2 O4
• SMILES: CCOC(=O)/C=C(\NCCN/C(=C\C(=O)OCC)C)C
• Title of publication: Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate
• Authors of publication: Jin, Zhi-Min; Li, Li; Li, Mei-Chao; Hu, Mao-Lin; Shen, Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o642 - o643
• a: 11.734 ± 0.003 Å
• b: 10.566 ± 0.002 Å
• c: 13.418 ± 0.003 Å
• α: 90°
• β: 111.44 ± 0.01°
• γ: 90°
• Cell volume: 1548.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes