Information card for entry 1502312

Structure parameters

• Formula: C17 H25 N O3 S
• Calculated formula: C17 H25 N O3 S
• SMILES: S(=O)(C[C@H]1N(C(=O)OC(C)(C)C)CCC1)c1ccc(cc1)C
• Title of publication: The diastereoselective alkylation of arenesulfenate anions using homochiral electrophiles.
• Authors of publication: Söderman, Stefan C; Schwan, Adrian L.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4192 - 4195
• a: 7.0411 ± 0.0005 Å
• b: 8.8042 ± 0.0005 Å
• c: 13.9063 ± 0.0009 Å
• α: 90°
• β: 92.013 ± 0.004°
• γ: 90°
• Cell volume: 861.54 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No