Information card for entry 4333704

Structure parameters

• Formula: C23 H22 N2 O
• Calculated formula: C23 H22 N2 O
• SMILES: O1C(=N[C@@H](C1)c1ccccc1)c1ccccc1Nc1c(cccc1C)C
• Title of publication: Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies
• Authors of publication: Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1454 - 1465
• a: 10.7615 ± 0.0011 Å
• b: 10.8922 ± 0.0011 Å
• c: 15.777 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1849.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No