Information card for entry 7231812

Structure parameters

• Common name: 2c
• Formula: C39 H44 N2 O
• Calculated formula: C39 H44 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: 10.525 ± 0.002 Å
• b: 12.498 ± 0.007 Å
• c: 13.969 ± 0.006 Å
• α: 69.67 ± 0.05°
• β: 86.47 ± 0.03°
• γ: 73.49 ± 0.03°
• Cell volume: 1650.6 ± 1.4 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No