Information card for entry 4319796

Structure parameters

• Formula: C19 H25 N3 O
• Calculated formula: C19 H25 N3 O
• SMILES: O/N=C(c1c(cc(cc1C)C)C)\Nc1c(cccc1)CN(C)C
• Title of publication: Coordination Chemistry of a Chelating Amidoximato Ligand
• Authors of publication: Mikhail V. Barybin; Paula L. Diaconescu; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2892 - 2897
• a: 8.944 ± 0.0013 Å
• b: 9.246 ± 0.0014 Å
• c: 11.688 ± 0.002 Å
• α: 79.151 ± 0.003°
• β: 79.863 ± 0.003°
• γ: 74.143 ± 0.002°
• Cell volume: 905.2 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.1223
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No