Information card for entry 2211346

Structure parameters

• Chemical name: Ethyl 5-hydroxy-3-(3-methoxybenzoyl)-1',5-dimethyl-2'-oxo-4,5-dihydro-1'H- spiro[furan-2(3H),3'(2'H)-indole]-4-carboxylate
• Formula: C24 H25 N O7
• Calculated formula: C24 H25 N O7
• SMILES: [C@@]1([C@H]([C@@H]([C@]2(c3ccccc3N(C2=O)C)O1)C(=O)c1cccc(c1)OC)C(=O)OCC)(C)O.[C@]1([C@@H]([C@H]([C@@]2(c3ccccc3N(C2=O)C)O1)C(=O)c1cccc(c1)OC)C(=O)OCC)(C)O
• Title of publication: Ethyl 5-hydroxy-3-(3-methoxybenzoyl)-1',5-dimethyl-2'-oxo-4,5-dihydro-1'<i>H</i>-spiro[furan-2(3<i>H</i>),3'(2'<i>H</i>)-indole]-4-carboxylate
• Authors of publication: D. Gayathri; D. Velmurugan; K. Ravikumar; G. Savitha; P. T. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5947 - o5949
• a: 8.486 ± 0.0012 Å
• b: 22.446 ± 0.003 Å
• c: 11.5348 ± 0.0016 Å
• α: 90°
• β: 90.305 ± 0.002°
• γ: 90°
• Cell volume: 2197.1 ± 0.5 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: 0.0717
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes