Information card for entry 4116649

Structure parameters

• Formula: C32 H34 N4 O2 Ti
• Calculated formula: C32 H34 N4 O2 Ti
• SMILES: [Ti]123(O[C@@H](c4ccccc4)[C@@H](O1)c1ccccc1)([N](=C1C=CC=CC=C1N2C)C)[N](=C1C=CC=CC=C1N3C)C.[Ti]123(O[C@H](c4ccccc4)[C@H](O1)c1ccccc1)([N](=C1C=CC=CC=C1N2C)C)[N](=C1C=CC=CC=C1N3C)C
• Title of publication: Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols
• Authors of publication: Dietrich P. Steinhuebel; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11762 - 11772
• a: 10.384 ± 0.003 Å
• b: 13.028 ± 0.004 Å
• c: 13.305 ± 0.005 Å
• α: 118.1 ± 0.02°
• β: 92.91 ± 0.04°
• γ: 110.73 ± 0.02°
• Cell volume: 1432.5 ± 1 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No