Information card for entry 2016146

Structure parameters

• Chemical name: 1,1'-dimethyl-2'',3''-dihydropiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-4,2''-dione
• Formula: C17 H21 N3 O2
• Calculated formula: C17 H21 N3 O2
• SMILES: C1C[C@]2([C@@]3(c4ccccc4NC3=O)N1C)C(=O)CCN(C2)C.C1C[C@@]2([C@]3(c4ccccc4NC3=O)N1C)C(=O)CCN(C2)C
• Title of publication: 1'-Methylcyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione and 1,1'-dimethylpiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2'',4-dione
• Authors of publication: J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o538 - o542
• a: 9.5194 ± 0.0007 Å
• b: 21.8847 ± 0.0014 Å
• c: 15.5413 ± 0.0011 Å
• α: 90°
• β: 93.86 ± 0.04°
• γ: 90°
• Cell volume: 3230.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1755
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes