Information card for entry 1516062

Structure parameters

• Formula: C16 H20 N2 O3
• Calculated formula: C16 H20 N2 O3
• SMILES: N1C(=O)[C@]2(CC1)C(=O)N(C[C@H](C2)CO)Cc1ccccc1.N1C(=O)[C@@]2(CC1)C(=O)N(C[C@@H](C2)CO)Cc1ccccc1
• Title of publication: Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.
• Authors of publication: Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4846 - 4849
• a: 10.604 ± 0.005 Å
• b: 10.38 ± 0.003 Å
• c: 13.204 ± 0.004 Å
• α: 90°
• β: 95.551 ± 0.014°
• γ: 90°
• Cell volume: 1446.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No