Information card for entry 7125017

Structure parameters

• Formula: C15 H20 N2 O2 S
• Calculated formula: C15 H20 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: 6.2192 ± 0.0002 Å
• b: 9.1506 ± 0.0002 Å
• c: 13.4968 ± 0.0003 Å
• α: 98.63 ± 0.002°
• β: 96.96 ± 0.003°
• γ: 92.679 ± 0.003°
• Cell volume: 752.15 ± 0.03 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0307
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No