Information card for entry 4088252

Structure parameters

• Formula: C70 H72 Cl2 O13 P2 Pd
• Calculated formula: C70 H72 Cl2 O13 P2 Pd
• Title of publication: Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions
• Authors of publication: Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 528
• a: 12.5154 ± 0.0008 Å
• b: 22.1406 ± 0.0012 Å
• c: 26.2373 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7270.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No