Information card for entry 2236284

Structure parameters

• Chemical name: Tetra-<i>tert</i>-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate
• Formula: C32 H44 O10
• Calculated formula: C32 H44 O10
• SMILES: O=C(C1=C(C(=O)OC(C)(C)C)[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@H]2[C@@H]1[C@H]1O[C@@H]2C(=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
• Title of publication: Tetra-<i>tert</i>-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate
• Authors of publication: Lough, Alan J.; Jack, Kelsey; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2962
• a: 5.8376 ± 0.001 Å
• b: 9.4895 ± 0.0017 Å
• c: 14.924 ± 0.003 Å
• α: 99.926 ± 0.004°
• β: 98.545 ± 0.004°
• γ: 100.462 ± 0.004°
• Cell volume: 786.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes