Information card for entry 4061689

Structure parameters

• Formula: C33 H49 N3 Ti
• Calculated formula: C33 H49 N3 Ti
• SMILES: [Ti]12345(=Nc6c(C(C)C)cccc6C(C)C)(Nc6c(C(C)C)cccc6C(C)C)[N](CC[c]61[cH]2[cH]3[cH]4[cH]56)(C)C
• Title of publication: New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes
• Authors of publication: Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 17.038 ± 0.002 Å
• b: 11.182 ± 0.0014 Å
• c: 17.564 ± 0.002 Å
• α: 90°
• β: 112.791 ± 0.002°
• γ: 90°
• Cell volume: 3084.9 ± 0.7 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No