Information card for entry 2236172

Structure parameters

• Chemical name: (2<i>Z</i>,2'<i>Z</i>)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)
• Formula: C16 H28 N2 O4
• Calculated formula: C16 H28 N2 O4
• SMILES: CCOC(=O)/C=C(\NCCCCN/C(=C\C(=O)OCC)C)C
• Title of publication: (2<i>Z</i>,2'<i>Z</i>)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)
• Authors of publication: Harrad, Mohamed Anouar; Boualy, Brahim; Ali, Mustapha Ait; El Firdoussi, Larbi; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2855 - o2856
• a: 5.7624 ± 0.0005 Å
• b: 13.1329 ± 0.0008 Å
• c: 11.7601 ± 0.0009 Å
• α: 90°
• β: 98.547 ± 0.006°
• γ: 90°
• Cell volume: 880.09 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes