Information card for entry 2212465

Structure parameters

• Chemical name: Methyl 1'-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-indan-2-yl)-2-oxo-5',6',7',7a'- tetrahydrospiro[1H-indole-3,3'(2H,2'H)-1'H-pyrrolizine]-1'-carboxylate
• Formula: C25 H22 N2 O6
• Calculated formula: C25 H22 N2 O6
• SMILES: C1CC[C@@H]2[C@@](C[C@@]3(C(=O)Nc4ccccc34)N12)(C(=O)OC)C1(C(=O)c2ccccc2C1=O)O.C1CC[C@H]2[C@](C[C@]3(C(=O)Nc4ccccc34)N12)(C(=O)OC)C1(C(=O)c2ccccc2C1=O)O
• Title of publication: Methyl 1'-(2-hydroxy-1,3-dioxo-2,3-dihydro-1<i>H</i>-indan-2-yl)-2-oxo-5',6',7',7a'-tetrahydrospiro[1<i>H</i>-indole-3,3'(2<i>H</i>,2'<i>H</i>)-1'<i>H</i>-pyrrolizine]-1'-carboxylate
• Authors of publication: B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; E. Ramesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1492 - o1494
• a: 8.6659 ± 0.0006 Å
• b: 8.6988 ± 0.0006 Å
• c: 14.5841 ± 0.0011 Å
• α: 84.389 ± 0.001°
• β: 85.373 ± 0.001°
• γ: 76.402 ± 0.001°
• Cell volume: 1061.56 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes