Information card for entry 1506938

Structure parameters

• Formula: C18 H26 O8
• Calculated formula: C18 H26 O8
• SMILES: [C@H]1(CC[C@H]2[C@@H]1CC[C@H]2C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC.[C@@H]1(CC[C@@H]2[C@H]1CC[C@@H]2C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC
• Title of publication: Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.
• Authors of publication: Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 4343 - 4345
• a: 7.2663 ± 0.0007 Å
• b: 9.8732 ± 0.001 Å
• c: 26.502 ± 0.003 Å
• α: 90°
• β: 95.2 ± 0.003°
• γ: 90°
• Cell volume: 1893.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No