Information card for entry 7133431

Structure parameters

• Formula: C15 H11 B F3 N O
• Calculated formula: C15 H11 B F3 N O
• Title of publication: Harnessing reductive BF₂-complexation <i>via</i> Ru(II)-catalyzed N-O cleavage of isoxazoles.
• Authors of publication: Panigrahi, Pritishree; Ghosh, Subhendu; Khandelia, Tamanna; Tripathi, Gyanesh; Mandal, Raju; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 68
• Pages of publication: 9109 - 9112
• a: 9.3925 ± 0.0017 Å
• b: 12.469 ± 0.002 Å
• c: 11.765 ± 0.002 Å
• α: 90°
• β: 106.136 ± 0.005°
• γ: 90°
• Cell volume: 1323.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No