Information card for entry 7231813

Structure parameters

• Common name: 5
• Formula: C9.5 H11 B0.5 Cl0.5 F2 N
• Calculated formula: C9.5 H11 B0.5 Cl0.5 F2 N
• Title of publication: Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands
• Authors of publication: Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 67
• Pages of publication: 38346
• a: 9.9401 ± 0.0014 Å
• b: 9.9401 ± 0.0014 Å
• c: 19.673 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1943.8 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No