Information card for entry 7112995

Structure parameters

• Formula: C21 H23 N O
• Calculated formula: C21 H23 N O
• SMILES: O=C(N(c1ccccc1)C[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1
• Title of publication: Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.
• Authors of publication: Zi, Guofu; Zhang, Furen; Song, Haibin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6296 - 6298
• a: 9.388 ± 0.016 Å
• b: 9.44 ± 0.02 Å
• c: 9.484 ± 0.017 Å
• α: 88.28 ± 0.09°
• β: 81.19 ± 0.05°
• γ: 89.14 ± 0.09°
• Cell volume: 830 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No