Information card for entry 7034179

Structure parameters

• Formula: C17 H18 N2 O
• Calculated formula: C17 H18 N2 O
• SMILES: O=C(C)/C=C(\NN(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.
• Authors of publication: Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6516 - 6525
• a: 9.1428 ± 0.0004 Å
• b: 9.2155 ± 0.0004 Å
• c: 9.7631 ± 0.0004 Å
• α: 75.888 ± 0.001°
• β: 64.827 ± 0.001°
• γ: 74.577 ± 0.001°
• Cell volume: 709.56 ± 0.05 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No