Information card for entry 2202135

Structure parameters

• Chemical name: 1''-Benzyl-5''-benzylidene-1'-methyl-4'-phenyl-1H-indole-3-spiro-2'- pyrrolidine-3'-spiro-3''-piperidine-2(3H),3''-dione
• Formula: C36 H33 N3 O2
• Calculated formula: C36 H33 N3 O2
• SMILES: N1(C[C@@]2(C(=O)C(=C\c3ccccc3)\C1)[C@H](CN([C@]12C(=O)Nc2c1cccc2)C)c1ccccc1)Cc1ccccc1.N1(C[C@]2(C(=O)C(=C\c3ccccc3)\C1)[C@@H](CN([C@@]12C(=O)Nc2c1cccc2)C)c1ccccc1)Cc1ccccc1
• Title of publication: 1''-Benzyl-5''-benzylidene-1'-methyl-4'-phenyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2(3<i>H</i>),3''-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Hu, Xiao-Fen; Xu, Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o711 - o712
• a: 8.535 ± 0.003 Å
• b: 11.441 ± 0.004 Å
• c: 15.682 ± 0.006 Å
• α: 102.027 ± 0.007°
• β: 92.423 ± 0.007°
• γ: 100.637 ± 0.007°
• Cell volume: 1466.8 ± 0.9 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: 0.1252
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes