Information card for entry 2013899

Structure parameters

• Chemical name: Diethyl (Z,Z)-3,3'-(1,2-ethanediyldinitrilo)dibut-2-enoate
• 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 (<i>Z</i>,<i>Z</i>)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate
• Authors of publication: Zhang, Zhenfeng; Jin, Shuo; Shang, Zhuobin; Huang, Shuping; Liu, Bo; Guo, Jianping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o176 - o177
• a: 11.505 ± 0.002 Å
• b: 10.54 ± 0.002 Å
• c: 13.471 ± 0.003 Å
• α: 90°
• β: 112.66 ± 0.03°
• γ: 90°
• Cell volume: 1507.4 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes