Information card for entry 2202170

Structure parameters

• Chemical name: (1R,2S)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(p-methylphenylsulfonylamino)- 1-(6-methoxy-2-naphthyl)butan-1-ol
• Formula: C23 H27 N O4 S
• Calculated formula: C23 H27 N O4 S
• SMILES: S(=O)(=O)(N[C@H]([C@H](O)c1cc2ccc(OC)cc2cc1)C(C)C)c1ccc(cc1)C
• Title of publication: (1<i>R</i>,2<i>S</i>)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(<i>p</i>-methylphenylsulfonylamino)-butan-1-ol
• Authors of publication: Li, Xingshu; Jia, Xian; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o706 - o707
• a: 7.3107 ± 0.0013 Å
• b: 11.5702 ± 0.0019 Å
• c: 25.117 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1306
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes