Information card for entry 1505375

Structure parameters

• Chemical name: 3'-benzoylspiro[3H-indole-3,2'-oxiran]-2(1H)-one
• Formula: C16 H11 N O3
• Calculated formula: C16 H11 N O3
• SMILES: c12c([C@]3(C(=O)N2)[C@H](C(=O)c2ccccc2)O3)cccc1.c12c([C@@]3(C(=O)N2)[C@@H](C(=O)c2ccccc2)O3)cccc1
• 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: 7.0535 ± 0.0001 Å
• b: 8.553 ± 0.0002 Å
• c: 10.4821 ± 0.0002 Å
• α: 93.399 ± 0.001°
• β: 95.478 ± 0.001°
• γ: 98.802 ± 0.001°
• Cell volume: 620.31 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No