Information card for entry 7151128

Structure parameters

• Formula: C26 H28 N2 O
• Calculated formula: C26 H28 N2 O
• SMILES: [C@@H]1(N([C@H](c2ccccc2)C)Cc2ccccc2)[C@H](C(=O)NC1)Cc1ccccc1
• Title of publication: Asymmetric synthesis of 3,4-anti- and 3,4-syn-substituted aminopyrrolidines via lithium amide conjugate addition.
• Authors of publication: Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Smith, Andrew D.; Rodriguez-Solla, Humberto; Thomson, James E.; Toms, Steven M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 1961 - 1969
• a: 9.5595 ± 0.0002 Å
• b: 17.1047 ± 0.0005 Å
• c: 13.6097 ± 0.0003 Å
• α: 90°
• β: 98.2945 ± 0.0016°
• γ: 90°
• Cell volume: 2202.08 ± 0.09 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0583
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No