Information card for entry 7119323

Structure parameters

• Formula: C14 H19 N O2 S
• Calculated formula: C14 H19 N O2 S
• SMILES: S1(=O)(=O)N[C@H](Cc2c1cccc2)C1CCCCC1
• Title of publication: Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.
• Authors of publication: Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1704 - 1707
• a: 10.1064 ± 0.001 Å
• b: 12.4748 ± 0.0012 Å
• c: 21.895 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No