Information card for entry 7152200

Structure parameters

• Formula: C23 H34 N2 O8 Si
• Calculated formula: C23 H34 N2 O8 Si
• SMILES: [Si](O[C@@H]1CC([C@](C1)(C(=O)COC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C)(C)C)(C(C)(C)C)(C)C.[Si](O[C@H]1CC([C@@](C1)(C(=O)COC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C)(C)C)(C(C)(C)C)(C)C
• Title of publication: Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.
• Authors of publication: Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 502 - 505
• a: 39.763 ± 0.009 Å
• b: 7.0246 ± 0.0013 Å
• c: 19.471 ± 0.004 Å
• α: 90°
• β: 105.495 ± 0.013°
• γ: 90°
• Cell volume: 5241 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No