Information card for entry 4079974

Structure parameters

• Formula: C19 H19 N3 O
• Calculated formula: C19 H19 N3 O
• SMILES: O=C1N(N=C(/C1=C(/Nc1ccccc1)CC)C)c1ccccc1
• Title of publication: Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands
• Authors of publication: Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 309
• a: 8.4729 ± 0.0008 Å
• b: 9.6604 ± 0.0008 Å
• c: 20.8289 ± 0.0013 Å
• α: 80.919 ± 0.006°
• β: 79.977 ± 0.006°
• γ: 74.001 ± 0.007°
• Cell volume: 1602.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.062
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No