Information card for entry 1516063

Structure parameters

• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: c12ccccc1C1(C(=O)N2)C(=O)N(CC1)C
• 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: 6.4277 ± 0.0001 Å
• b: 10.169 ± 0.0002 Å
• c: 15.7788 ± 0.0002 Å
• α: 90°
• β: 95.698 ± 0.001°
• γ: 90°
• Cell volume: 1026.26 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No