Information card for entry 7231814

Structure parameters

• Common name: 7H+
• Formula: C19.5 H24 B Cl F4 N2 O
• Calculated formula: C19.5 H24 B Cl F4 N2 O
• 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: 9.1627 ± 0.0018 Å
• b: 8.6433 ± 0.0017 Å
• c: 26.423 ± 0.005 Å
• α: 90°
• β: 91.17 ± 0.03°
• γ: 90°
• Cell volume: 2092.2 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No