Information card for entry 7151682

Structure parameters

• Formula: C31 H34 O13
• Calculated formula: C31 H34 O13
• SMILES: C12(CC3=C(CC(CC4=C(C1)CC(=C(C4)C(=O)OC)C(=O)OC)(C2=O)C(=O)OC)CC(=C(C3)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.
• Authors of publication: Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1572 - 1577
• a: 12.624 ± 0.003 Å
• b: 10.895 ± 0.002 Å
• c: 21.852 ± 0.004 Å
• α: 90°
• β: 104.9 ± 0.03°
• γ: 90°
• Cell volume: 2904.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1659
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No