Information card for entry 7055109

Structure parameters

• Common name: spiroindolopyrrolizinones
• Chemical name: (1'R,7a'S)-7a'-methyl-2',3',7',7a'-tetrahydrospiro[indoline-3,1'-pyrrolizine]-2,5'(6'H)-dione
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• SMILES: O=C1Nc2c([C@]31[C@@]1(N(CC3)C(=O)CC1)C)cccc2.O=C1Nc2c([C@@]31[C@]1(N(CC3)C(=O)CC1)C)cccc2
• Title of publication: Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies
• Authors of publication: Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9281
• a: 7.289 ± 0.003 Å
• b: 11.525 ± 0.004 Å
• c: 14.616 ± 0.005 Å
• α: 90°
• β: 91.587 ± 0.019°
• γ: 90°
• Cell volume: 1227.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2204
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.3225
• Weighted residual factors for all reflections included in the refinement: 0.4145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No