Information card for entry 1506939

Structure parameters

• Formula: C19 H23 Cl O4
• Calculated formula: C19 H23 Cl O4
• SMILES: [C@H]1(CC[C@@H]2[C@H]1CC[C@@H]2C(C(=O)OC)C(=O)OC)c1ccc(Cl)cc1.[C@@H]1(CC[C@H]2[C@@H]1CC[C@H]2C(C(=O)OC)C(=O)OC)c1ccc(Cl)cc1
• 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: 5.794 ± 0.001 Å
• b: 7.595 ± 0.002 Å
• c: 40.65 ± 0.006 Å
• α: 90°
• β: 90.91 ± 0.01°
• γ: 90°
• Cell volume: 1788.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No