Information card for entry 1515994

Structure parameters

• Formula: C17 H16 N2 O3 S2
• Calculated formula: C17 H16 N2 O3 S2
• SMILES: S(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2noc(c2)C)cc1
• Title of publication: A highly efficient cu-catalyzed s-transfer reaction: from amine to sulfide.
• Authors of publication: Li, Yiming; Pu, Jiahua; Jiang, Xuefeng
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2692 - 2695
• a: 10.7362 ± 0.0005 Å
• b: 14.1883 ± 0.0007 Å
• c: 12.3716 ± 0.0006 Å
• α: 90°
• β: 108.855 ± 0.002°
• γ: 90°
• Cell volume: 1783.42 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No