Information card for entry 2203082

Structure parameters

• Chemical name: 1-(2-Cholorophenyl)-1H-indan-2-spiro-2'-pyrrolizidine-3'-spiro-3''- 1H-indole-1,3,2''(2H,3''H)-trione
• Formula: C28 H21 Cl N2 O3
• Calculated formula: C28 H21 Cl N2 O3
• SMILES: Clc1c([C@@H]2[C@@H]3N([C@]4(c5c(NC4=O)cccc5)C42C(=O)c2ccccc2C4=O)CCC3)cccc1.Clc1c([C@H]2[C@H]3N([C@@]4(c5c(NC4=O)cccc5)C42C(=O)c2ccccc2C4=O)CCC3)cccc1
• Title of publication: 1-(2-Chlorophenyl)-1<i>H</i>-indan-2-spiro-2'-pyrrolizidine-3'-spiro-3''-1<i>H</i>-indole-1,3,2''(2<i>H</i>,3''<i>H</i>)-trione
• Authors of publication: M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R.Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o54 - o56
• a: 10.8456 ± 0.0006 Å
• b: 14.1502 ± 0.0008 Å
• c: 15.2068 ± 0.0009 Å
• α: 90°
• β: 92.053 ± 0.001°
• γ: 90°
• Cell volume: 2332.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes