Information card for entry 4103215

Structure parameters

• Formula: C26 H31 N O3 S
• Calculated formula: C26 H31 N O3 S
• SMILES: C([C@@H]([C@H](C(C)C)O)c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C.C([C@H]([C@@H](C(C)C)O)c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis
• Authors of publication: Petr Valenta; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14179 - 14190
• a: 37.27 ± 0.003 Å
• b: 7.0743 ± 0.0006 Å
• c: 18.1981 ± 0.0017 Å
• α: 90°
• β: 93.537 ± 0.002°
• γ: 90°
• Cell volume: 4789 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0578
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No