Information card for entry 4073281

Structure parameters

• Chemical name: 2-{[(2,6-diisopropylphenyl)amino]methyl}-4-nitrophenol
• Formula: C19 H24 N2 O3
• Calculated formula: C19 H24 N2 O3
• SMILES: c1(N(=O)=O)ccc(O)c(c1)CNc1c(cccc1C(C)C)C(C)C
• Title of publication: Ruthenium Alkylidene Complexes of Chelating Amine Ligands
• Authors of publication: Occhipinti, Giovanni; Bjørsvik, Hans-René; Törnroos, Karl Wilhelm; Jensen, Vidar R.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5803
• a: 5.9766 ± 0.0002 Å
• b: 17.987 ± 0.0007 Å
• c: 16.4842 ± 0.0006 Å
• α: 90°
• β: 95.393 ± 0.001°
• γ: 90°
• Cell volume: 1764.23 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No