Information card for entry 7150662

Structure parameters

• Formula: C29 H32.33 N O2
• Calculated formula: C29 H32.3257 N O2
• Title of publication: Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements
• Authors of publication: Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2604 - 2611
• a: 8.9487 ± 0.0002 Å
• b: 5.1851 ± 0.0001 Å
• c: 52.29 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.25 ± 0.08 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections: 0.1858
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No