Information card for entry 7155506

Structure parameters

• Formula: C22 H23 N3 O2
• Calculated formula: C22 H23 N3 O2
• SMILES: N1([C@@H](CCC1)C(O)(c1ccccc1)c1ccccc1)C(=O)c1nccn1C
• Title of publication: Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.
• Authors of publication: Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2422 - 2435
• a: 8.496 ± 0.006 Å
• b: 11.107 ± 0.008 Å
• c: 9.921 ± 0.007 Å
• α: 90°
• β: 95.155 ± 0.012°
• γ: 90°
• Cell volume: 932.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No