Information card for entry 2016548

Structure parameters

• Chemical name: tetramethyl <i>cis</i>,<i>cis</i>-3,7-dihydroxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate
• Formula: C16 H18 O10
• Calculated formula: C16 H18 O10
• SMILES: OC1=C(C(=O)OC)[C@@H]2[C@@H](C(=O)OC)C(=C(C(=O)OC)[C@@H]2[C@H]1C(=O)OC)O.OC1=C(C(=O)OC)[C@H]2[C@H](C(=O)OC)C(=C(C(=O)OC)[C@H]2[C@@H]1C(=O)OC)O
• 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: 12.1198 ± 0.0018 Å
• b: 12.5461 ± 0.0019 Å
• c: 12.4089 ± 0.0019 Å
• α: 90°
• β: 114.896 ± 0.002°
• γ: 90°
• Cell volume: 1711.5 ± 0.4 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: 0.0459
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes