Information card for entry 4105219

Structure parameters

• Formula: C23 H23 Br N2 O P
• Calculated formula: C23 H23 Br N2 O P
• SMILES: Brc1ccc(cc1)[C@@](C#N)(C)NP(=O)(c1ccccc1C)c1ccccc1C
• Title of publication: Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex
• Authors of publication: Joshua P. Abell; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15118 - 15119
• a: 19.943 ± 0.006 Å
• b: 19.943 ± 0.006 Å
• c: 10.142 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3493 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No