Information card for entry 4074942

Structure parameters

• Formula: C26 H26 O Ti
• Calculated formula: C26 H26 O Ti
• SMILES: [Ti]1234([c]5([cH]1[cH]2[cH]3[cH]45)CCOC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
• Authors of publication: Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1448 - 1460
• a: 13.071 ± 0.002 Å
• b: 9.8025 ± 0.0015 Å
• c: 15.986 ± 0.002 Å
• α: 90°
• β: 93.739 ± 0.003°
• γ: 90°
• Cell volume: 2043.9 ± 0.5 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: 0.1635
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No