Information card for entry 2236190

Structure parameters

• Chemical name: 1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>- dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione
• Formula: C26 H29 N3 O2
• Calculated formula: C26 H29 N3 O2
• SMILES: CN1CCC(=O)[C@]2(C1)[C@@H](c1ccc(cc1)C)[C@H]1N([C@]32C(=O)Nc2c3cccc2)CCC1.CN1CCC(=O)[C@@]2(C1)[C@H](c1ccc(cc1)C)[C@@H]1N([C@@]32C(=O)Nc2c3cccc2)CCC1
• Title of publication: 1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione
• Authors of publication: Ramaswamy, S.; Sribala, R.; Srinivasan, N.; Krishnakumar, R. V.; Kumar, R. Ranjith
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2772 - o2773
• a: 8.7516 ± 0.0004 Å
• b: 12.4649 ± 0.0005 Å
• c: 21.4605 ± 0.0008 Å
• α: 97.654 ± 0.002°
• β: 101.024 ± 0.002°
• γ: 102.345 ± 0.002°
• Cell volume: 2207.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1102
• 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: Yes
• Has Fobs: Yes