Information card for entry 1505374

Structure parameters

• Chemical name: 1-(para-methoxybenzyl)-3'-pyrrolidinocarbonylspiro[3H-indole-3,2'-oxiran] -2(1H)-one
• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• SMILES: COc1ccc(cc1)CN1c2ccccc2[C@@]2(C1=O)O[C@H]2C(=O)N1CCCC1.COc1ccc(cc1)CN1c2ccccc2[C@]2(C1=O)O[C@@H]2C(=O)N1CCCC1
• Title of publication: Straightforward stereoselective synthesis of spiro-epoxyoxindoles.
• Authors of publication: Schulz, Verena; Davoust, Marion; Lemarié, Margareth; Lohier, Jean-François; Santos, Jana Sopkova de Oliveira; Metzner, Patrick; Brière, Jean-François
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1745 - 1748
• a: 11.461 ± 0.0003 Å
• b: 9.3131 ± 0.0002 Å
• c: 18.6652 ± 0.0004 Å
• α: 90°
• β: 106.458 ± 0.0011°
• γ: 90°
• Cell volume: 1910.64 ± 0.08 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: 0.0692
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No