Information card for entry 4103217

Structure parameters

• Formula: C29 H33 N O3 S
• Calculated formula: C29 H33 N O3 S
• SMILES: C1(CCCCC1)[C@H](/C(=C/N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C)c1ccccc1)O
• 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: 17.8473 ± 0.0019 Å
• b: 11.6887 ± 0.0013 Å
• c: 24.162 ± 0.003 Å
• α: 90°
• β: 90.76 ± 0.006°
• γ: 90°
• Cell volume: 5040 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No