Information card for entry 4315524

Structure parameters

• Common name: 4-acetyl-4',4"-dimethoxytriphenylamine
• Chemical name: 4-acetyl-4',4"-dimethoxytriphenylamine
• Formula: C22 H21 N O3
• Calculated formula: C22 H21 N O3
• SMILES: N(c1ccc(cc1)C(=O)C)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Redox-Active Tripodal Aminetris(aryloxide) Complexes of Titanium(IV)
• Authors of publication: Davide Lionetti; Andrew J. Medvecz; Vesela Ugrinova; Mauricio Quiroz-Guzman; Bruce C. Noll; Seth N. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4687 - 4697
• a: 11.477 ± 0.001 Å
• b: 14.3728 ± 0.0013 Å
• c: 12.107 ± 0.0011 Å
• α: 90°
• β: 115.33 ± 0.0015°
• γ: 90°
• Cell volume: 1805.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No