Information card for entry 2005835

Structure parameters

• Chemical name: Diethyl 3,4-di(ethoxycarbonyl)-(2Z,4Z)-hexa-2,4-diene-1,6-dioate
• Formula: C16 H22 O8
• Calculated formula: C16 H22 O8
• SMILES: CCOC(=O)C(=C\C(=O)OCC)/C(=C/C(=O)OCC)C(=O)OCC
• Title of publication: Tetraethyl (1<i>Z</i>,3<i>Z</i>)-Buta-1,3-diene-1,2,3,4-tetracarboxylate
• Authors of publication: Tani, K.; Yamagata, T.; Kataoka, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3138 - 3140
• a: 7.7523 ± 0.0007 Å
• b: 9.3535 ± 0.0007 Å
• c: 6.8139 ± 0.0006 Å
• α: 95.432 ± 0.008°
• β: 111.021 ± 0.007°
• γ: 99.112 ± 0.008°
• Cell volume: 449.19 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.0558
• Goodness-of-fit parameter for significantly intense reflections: 1.99
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No