Information card for entry 4026162

Structure parameters

• Formula: C23 H27 N O7 S2
• Calculated formula: C23 H27 N O7 S2
• SMILES: c1ccccc1S(=O)(=O)[C@]1(C(=O)OC)C[C@H]2CCC([C@@H]1C2)=NOS(=O)(=O)c1ccc(cc1)C.c1ccccc1S(=O)(=O)[C@@]1(C(=O)OC)C[C@@H]2CCC([C@H]1C2)=NOS(=O)(=O)c1ccc(cc1)C
• Title of publication: Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems
• Authors of publication: Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2094 - 2101
• a: 15.327 ± 0.005 Å
• b: 7.905 ± 0.003 Å
• c: 19.504 ± 0.007 Å
• α: 90°
• β: 96.912 ± 0.01°
• γ: 90°
• Cell volume: 2345.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No