Information card for entry 1554809

Structure parameters

• Formula: C19 H18 N O5 S2
• Calculated formula: C19 H18 N O5 S2
• SMILES: c1(S(=O)(=O)N(C(=C\C(C)O)/CCC)S(=O)(=O)c2ccccc2)ccccc1
• Title of publication: Organoselenium-catalyzed, hydroxy-controlled regio- and stereoselective amination of terminal alkenes: efficient synthesis of 3-amino allylic alcohols.
• Authors of publication: Deng, Zhimin; Wei, Jialiang; Liao, Lihao; Huang, Haiyan; Zhao, Xiaodan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1834 - 1837
• a: 7.9459 ± 0.0004 Å
• b: 8.3713 ± 0.0005 Å
• c: 15.0845 ± 0.0006 Å
• α: 98.477 ± 0.004°
• β: 91.135 ± 0.004°
• γ: 97.754 ± 0.005°
• Cell volume: 982.54 ± 0.09 ų
• Cell temperature: 293.35 ± 0.1 K
• Ambient diffraction temperature: 293.35 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No