Information card for entry 1516061

Structure parameters

• Formula: C17 H22 N2 O3
• Calculated formula: C17 H22 N2 O3
• SMILES: C1(=O)[C@]2(CCCN1)C(=O)N(C[C@@H](C2)CO)Cc1ccccc1.C1(=O)[C@@]2(CCCN1)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: 9.5653 ± 0.0014 Å
• b: 10.45 ± 0.0013 Å
• c: 30.655 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3064.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No