Information card for entry 2217644

Structure parameters

• Chemical name: Ethyl 3'-cyano-1'-methyl-2-oxo-4'-phenyl-spiro[acenaphthene-1,2'- pyrrolidine]-3'-carboxylate
• Formula: C26 H22 N2 O3
• Calculated formula: C26 H22 N2 O3
• SMILES: O=C1c2cccc3cccc(c23)[C@@]21N(C[C@@H]([C@@]2(C#N)C(=O)OCC)c1ccccc1)C
• Title of publication: Ethyl 3'-cyano-1'-methyl-2-oxo-4'-phenylspiro[acenaphthene-1,2'-pyrrolidine]-3'-carboxylate
• Authors of publication: Wen-Long Yang; Zheng-Quan Zuo; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o440 - o440
• a: 7.564 ± 0.003 Å
• b: 14.549 ± 0.006 Å
• c: 19.397 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2134.6 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes