Information card for entry 1502143

Structure parameters

• Formula: C25 H27 N O3
• Calculated formula: C25 H27 N O3
• SMILES: O(C(=O)C[C@H](N([C@@H](c1ccccc1)C)c1ccccc1)C)c1ccc(OC)cc1
• Title of publication: Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine.
• Authors of publication: Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2544 - 2547
• a: 9.6818 ± 0.0004 Å
• b: 14.3637 ± 0.0005 Å
• c: 15.1077 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2100.97 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0399
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No