Information card for entry 2016551

Structure parameters

• Chemical name: tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate
• Formula: C20 H26 O10
• Calculated formula: C20 H26 O10
• SMILES: [C@]12(C)C(=C(OC)[C@H](C(=O)OC)[C@@]1(C)C(=C(OC)[C@@H]2C(=O)OC)C(=O)OC)C(=O)OC.[C@@]12(C)C(=C(OC)[C@@H](C(=O)OC)[C@]1(C)C(=C(OC)[C@H]2C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Five bicyclo[3.3.0]octa-2,6-dienes
• Authors of publication: Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o199 - o204
• a: 11.6352 ± 0.0004 Å
• b: 13.3095 ± 0.0004 Å
• c: 13.2262 ± 0.0004 Å
• α: 90°
• β: 96.369 ± 0.001°
• γ: 90°
• Cell volume: 2035.55 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes