Information card for entry 1505565

Structure parameters

• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O=C1N([C@H]([C@H](C1)C(=O)OC)c1ccccc1)Cc1ccccc1.O=C1N([C@@H]([C@@H](C1)C(=O)OC)c1ccccc1)Cc1ccccc1
• Title of publication: Diastereoselective synthesis of gamma-lactams by a one-pot, four-component reaction.
• Authors of publication: Wei, Jingqiang; Shaw, Jared T.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 4077 - 4080
• a: 13.69 ± 0.002 Å
• b: 5.8634 ± 0.0008 Å
• c: 20.31 ± 0.003 Å
• α: 90°
• β: 103.935 ± 0.003°
• γ: 90°
• Cell volume: 1582.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No