Information card for entry 4038173

Structure parameters

• Formula: C20 H20 N2 O2 S
• Calculated formula: C20 H20 N2 O2 S
• Title of publication: Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.
• Authors of publication: François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.986 ± 0.004 Å
• b: 9.394 ± 0.003 Å
• c: 17.213 ± 0.007 Å
• α: 90°
• β: 103.123 ± 0.013°
• γ: 90°
• Cell volume: 1730 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0852
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No