Information card for entry 1506940

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: O1[C@@H]2[C@H](c3c(C1)cccc3)[C@@H]1[C@H](C2)[C@@H](CC1)C(C(=O)OC)C(=O)OC.O1[C@H]2[C@@H](c3c(C1)cccc3)[C@H]1[C@@H](C2)[C@H](CC1)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: 8.748 ± 0.001 Å
• b: 9.689 ± 0.001 Å
• c: 11.773 ± 0.001 Å
• α: 81.91 ± 0.01°
• β: 85.5 ± 0.01°
• γ: 66.42 ± 0.01°
• Cell volume: 905.18 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No