Information card for entry 2221602

Structure parameters

• Chemical name: (<i>S</i>)-5-Hexyl-1-[(<i>S</i>)-2-hydroxy-1-phenylethyl]-4-methoxy- 1<i>H</i>-pyrrol-2(5<i>H</i>)-one
• Formula: C19 H27 N O3
• Calculated formula: C19 H27 N O3
• SMILES: N1(C(=O)C=C(OC)[C@@H]1CCCCCC)[C@H](CO)c1ccccc1
• Title of publication: (<i>S</i>)-5-Hexyl-1-[(<i>S</i>)-2-hydroxy-1-phenylethyl]-4-methoxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one
• Authors of publication: Zheng, Jian-Feng; Jiang, Li-Jiao; Guo, Jian-Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1094
• a: 9.6739 ± 0.0017 Å
• b: 10.0995 ± 0.0018 Å
• c: 17.929 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1751.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes