Information card for entry 7125018

Structure parameters

• Formula: C18 H24 N2 O2 S
• Calculated formula: C18 H24 N2 O2 S
• Title of publication: Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.
• Authors of publication: Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 72
• Pages of publication: 10918 - 10921
• a: 10.79743 ± 0.00016 Å
• b: 13.38129 ± 0.0002 Å
• c: 11.85342 ± 0.00017 Å
• α: 90°
• β: 96.5156 ± 0.0012°
• γ: 90°
• Cell volume: 1701.56 ± 0.04 ų
• Cell temperature: 123.02 ± 0.1 K
• Ambient diffraction temperature: 123.02 ± 0.1 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: 0.0352
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No