Information card for entry 2234773

Structure parameters

• Chemical name: Ethyl (<i>E</i>)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2<i>H</i>- spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate
• Formula: C28 H27 N O5 S
• Calculated formula: C28 H27 N O5 S
• SMILES: c1ccc2c3c1C(=O)[C@]1(c3ccc2)[C@@H]([C@H](CN1CC)S(=O)(=O)c1ccccc1)/C=C/C(=O)OCC.c1ccc2c3c1C(=O)[C@@]1(c3ccc2)[C@H]([C@@H](CN1CC)S(=O)(=O)c1ccccc1)/C=C/C(=O)OCC
• Title of publication: Ethyl (<i>E</i>)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate
• Authors of publication: Sankar, Ulaganathan; Uma, R.; Sundaramoorthy, S.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1401
• a: 11.1917 ± 0.0008 Å
• b: 11.7778 ± 0.0009 Å
• c: 12.1511 ± 0.0009 Å
• α: 93.572 ± 0.003°
• β: 115.911 ± 0.003°
• γ: 114.134 ± 0.003°
• Cell volume: 1256.82 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1273
• 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