Information card for entry 1502017

Structure parameters

• Formula: C27 H33 N O7 S
• Calculated formula: C27 H33 N O7 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1[C@@H]2[C@H](CO1)CC([C@H]2[C@@H](C)c1ccccc1)(C(=O)OCC)C(=O)OCC.c1(ccc(C)cc1)S(=O)(=O)N1[C@H]2[C@@H](CO1)CC([C@@H]2[C@H](C)c1ccccc1)(C(=O)OCC)C(=O)OCC
• Title of publication: Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.
• Authors of publication: Witek, Jason A.; Weinreb, Steven M.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1258 - 1260
• a: 10.625 ± 0.002 Å
• b: 11.575 ± 0.002 Å
• c: 12.145 ± 0.002 Å
• α: 78.441 ± 0.007°
• β: 69.879 ± 0.007°
• γ: 73.73 ± 0.007°
• Cell volume: 1337.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1675
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No