Information card for entry 2214590

Structure parameters

• Common name: Indane-1,3-dione Spiro(2,2')-4'-methoxy carbonyl 3'-(2-hydroxy-indane-1,3-dione) pyrrolizidine
• Chemical name: Methyl 1'-(2-hydroxy-1,3-dioxoindan-2-yl)-1,3-dioxoindane-2- spiro-3'-pyrrolizidine-1-carboxylate
• Formula: C26 H21 N O7
• Calculated formula: C26 H21 N O7
• SMILES: O=C(OC)[C@]1(CC2(N3[C@H]1CCC3)C(=O)c1ccccc1C2=O)C1(O)C(=O)c2ccccc2C1=O.O=C(OC)[C@@]1(CC2(N3[C@@H]1CCC3)C(=O)c1ccccc1C2=O)C1(O)C(=O)c2ccccc2C1=O
• Title of publication: Methyl 1'-(2-hydroxy-1,3-dioxoindan-2-yl)-1,3-dioxoindane-2-spiro-3'-pyrrolizidine-1'-carboxylate
• Authors of publication: S. Murugavel; P. Ramesh; A. SubbiahPandi; E. Ramesh; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3610 - o3610
• a: 39.58 ± 0.005 Å
• b: 7.669 ± 0.0015 Å
• c: 14.868 ± 0.003 Å
• α: 90°
• β: 103.291 ± 0.016°
• γ: 90°
• Cell volume: 4392.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes