Information card for entry 2006575

Structure parameters

• Chemical name: 5-Formyl-1,1,8,8-tetrakis(methoxycarbonyl)-(4E,11Z,13E)- cyclopentadeca-4,11,13-triene
• Formula: C24 H32 O9
• Calculated formula: C24 H32 O9
• SMILES: O(C(=O)C1(CC/C(=C\CCC(C/C=C/C=C\CC1)(C(=O)OC)C(=O)OC)C=O)C(=O)OC)C
• Title of publication: Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels–Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene
• Authors of publication: Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1490 - 1493
• a: 6.9449 ± 0.0005 Å
• b: 10.5817 ± 0.0005 Å
• c: 17.8569 ± 0.0008 Å
• α: 74.196 ± 0.004°
• β: 78.952 ± 0.004°
• γ: 73.558 ± 0.004°
• Cell volume: 1201.68 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.067
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No