Information card for entry 1570170

Structure parameters

• Formula: C11 H14 B F2 N O
• Calculated formula: C11 H14 B F2 N O
• Title of publication: Regioselective <i>ortho</i> halogenation of <i>N</i>-aryl amides and ureas <i>via</i> oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.
• Authors of publication: Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 13429 - 13436
• a: 6.4333 ± 0.0002 Å
• b: 11.2099 ± 0.0003 Å
• c: 15.6487 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1128.53 ± 0.06 ų
• Cell temperature: 101 ± 3 K
• Ambient diffraction temperature: 101 ± 3 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No