Information card for entry 1508959

Structure parameters

• Formula: C18 H18 N2 O2 S
• Calculated formula: C18 H18 N2 O2 S
• SMILES: S(=O)(=O)(N1Cc2c3c([nH]c2CCC1)cccc3)c1ccccc1
• Title of publication: Rh(2)(II)-Catalyzed Selective Aminomethylene Migration from Styryl Azides.
• Authors of publication: Kong, Chen; Jana, Navendu; Driver, Tom G.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 824 - 827
• a: 23.455 ± 0.0015 Å
• b: 8.3832 ± 0.0005 Å
• c: 17.46 ± 0.0011 Å
• α: 90°
• β: 109.101 ± 0.001°
• γ: 90°
• Cell volume: 3244.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No