Information card for entry 4038172

Structure parameters

• Formula: C20 H26 B N O5
• Calculated formula: C20 H26 B N O5
• 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: 12.8072 ± 0.001 Å
• b: 10.7432 ± 0.0009 Å
• c: 14.209 ± 0.0011 Å
• α: 90°
• β: 98.573 ± 0.003°
• γ: 90°
• Cell volume: 1933.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0543
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No