Information card for entry 1507248

Structure parameters

• Formula: C49 H63 Cl8 N4 Pd2
• Calculated formula: C49 H63 Cl8 N4 Pd2
• Title of publication: Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight.
• Authors of publication: Jensen, David R.; Sigman, Matthew S.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 63 - 65
• a: 16.874 ± 0.0003 Å
• b: 11.5818 ± 0.0002 Å
• c: 28.0119 ± 0.0005 Å
• α: 90°
• β: 92.1412 ± 0.0009°
• γ: 90°
• Cell volume: 5470.58 ± 0.17 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.1177
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No