Information card for entry 2206295

Structure parameters

• Chemical name: Ethyl 2,2''-dioxo-2,3,5,6,7,7a-hexahydroacenaphthene- 1-spiro-3'-1'H-pyrrolizine-2'spiro-1''-acenaphthene-1-carboxylate
• Formula: C32 H25 N O4
• Calculated formula: C32 H25 N O4
• SMILES: O=C1[C@]2(N3[C@H]([C@@H]([C@]42C(=O)c2cccc5c2c4ccc5)C(=O)OCC)CCC3)c2c3c1cccc3ccc2.O=C1[C@@]2(N3[C@@H]([C@H]([C@@]42C(=O)c2cccc5c2c4ccc5)C(=O)OCC)CCC3)c2c3c1cccc3ccc2
• Title of publication: Ethyl 2,2''-dioxo-2',3',5',6',7',7a'-hexahydroacenaphthene-1-spiro-3'-1'<i>H</i>-pyrrolizine-2'spiro-1''-acenaphthene-1-carboxylate
• Authors of publication: G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; R. Rathna Durga; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2267 - o2269
• a: 14.8348 ± 0.0012 Å
• b: 11.1902 ± 0.0009 Å
• c: 16.0909 ± 0.0013 Å
• α: 90°
• β: 112.479 ± 0.001°
• γ: 90°
• Cell volume: 2468.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes