Information card for entry 1556502

Structure parameters

• Common name: Mes KetoImine
• Chemical name: 2-(2,4,6-trimethylphenylamino)-3-methylpent-2-en-4-one
• Formula: C15 H21 N O
• Calculated formula: C15 H21 N O
• SMILES: O=C(C)/C(=C(\Nc1c(C)cc(cc1C)C)C)C
• Title of publication: Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations
• Authors of publication: Gietz, T.; Boere, R.T.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 30
• a: 18.8762 ± 0.0017 Å
• b: 8.0097 ± 0.0007 Å
• c: 19.0037 ± 0.0017 Å
• α: 90°
• β: 107.543 ± 0.001°
• γ: 90°
• Cell volume: 2739.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No