Information card for entry 2241263

Structure parameters

• Chemical name: 3'-(1<i>H</i>-Indole-3-carbonyl)-1'-methyl-2-oxo-4'-(4-oxo-4<i>H</i>-chromen-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile
• Formula: C31 H22 N4 O4
• Calculated formula: C31 H22 N4 O4
• SMILES: c1c(c(=O)c2c(cccc2)o1)[C@H]1[C@@](C#N)([C@]2(C(=O)Nc3ccccc23)N(C1)C)C(=O)c1c2ccccc2[nH]c1.c1c(c(=O)c2c(cccc2)o1)[C@@H]1[C@](C#N)([C@@]2(C(=O)Nc3ccccc23)N(C1)C)C(=O)c1c2ccccc2[nH]c1
• Title of publication: Crystal structure of 3'-(1<i>H</i>-indole-3-carbonyl)-1'-methyl-2-oxo-4'-(4-oxo-4<i>H</i>-chromen-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile
• Authors of publication: Savithri, M. P.; Raja, R.; Kathirvelan, D.; Reddy, B. S. R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o898 - o899
• a: 13.0401 ± 0.0005 Å
• b: 14.9139 ± 0.0006 Å
• c: 13.7161 ± 0.0005 Å
• α: 90°
• β: 112.603 ± 0.002°
• γ: 90°
• Cell volume: 2462.6 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes