Information card for entry 2202406

Structure parameters

• Chemical name: 1-Methyl-4'-(3-nitrophenyl)-1H-indole-3-spiro-2'-pyrrolidine-3'- spiro-2''-indan-2,1'',3''-trione
• Formula: C26 H19 N3 O5
• Calculated formula: C26 H19 N3 O5
• SMILES: N1C(=O)[C@]2(c3ccccc13)C1([C@H](CN2C)c2cccc(N(=O)=O)c2)C(=O)c2ccccc2C1=O.N1C(=O)[C@@]2(c3ccccc13)C1([C@@H](CN2C)c2cccc(N(=O)=O)c2)C(=O)c2ccccc2C1=O
• Title of publication: 1-Methyl-4'-(3-nitrophenyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione
• Authors of publication: P.R.Seshadri; S.Selvanayagam; D.Velmurugan; K.Ravikumar; A.R.Sureshbabu; R.Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2025 - o2027
• a: 7.761 ± 0.0006 Å
• b: 11.6696 ± 0.001 Å
• c: 11.9952 ± 0.0009 Å
• α: 93.392 ± 0.002°
• β: 91.092 ± 0.001°
• γ: 93.66 ± 0.001°
• Cell volume: 1081.98 ± 0.15 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: 0.0711
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes