Information card for entry 7106295

Structure parameters

• Formula: C19 H27 N O3 S
• Calculated formula: C19 H27 N O3 S
• SMILES: S(=O)(=O)(N1CCCC1C(=C(C)C)CCC(=O)C)c1ccc(cc1)C
• Title of publication: Tandem ene-reaction/hydroamination of amino-olefin and -allene compounds catalyzed by Bi(OTf)3
• Authors of publication: Kimihiro Komeyama Yuusuke Kouya Yuuki Ohama Ken Takaki
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5031
• a: 7.673 ± 0.004 Å
• b: 11.669 ± 0.006 Å
• c: 11.687 ± 0.005 Å
• α: 75.194 ± 0.012°
• β: 73.861 ± 0.012°
• γ: 82.003 ± 0.013°
• Cell volume: 969.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0681
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No