Information card for entry 1502226

Structure parameters

• Formula: C29 H32 N2 O8 S
• Calculated formula: C29 H32 N2 O8 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)/N=C/1C[C@@]([C@@H](c2occc2)N1C(=O)[C@@H](c1ccccc1)OC)(C(=O)OC(C)(C)C)O
• Title of publication: Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.
• Authors of publication: Yao, Ming; Lu, Chong-Dao
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2782 - 2785
• a: 10.792 ± 0.009 Å
• b: 15.356 ± 0.012 Å
• c: 17.73 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No