Information card for entry 1513299

Structure parameters

• Formula: C42 H46 O2 Ti
• Calculated formula: C42 H46 O2 Ti
• SMILES: [Ti]1(Oc2c(cc(cc2c2cccc(c3cc(cc(c3O1)C(C)(C)C)C)c2)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Early Transition Metal Bisphenolate Complexes and Their Use as Olefin Polymerization Catalysts
• Authors of publication: Golisz, Suzanne R.; Bercaw, John E.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 8751
• a: 11.8111 ± 0.0006 Å
• b: 12.473 ± 0.0007 Å
• c: 13.6594 ± 0.0007 Å
• α: 100.565 ± 0.003°
• β: 100.814 ± 0.003°
• γ: 102.041 ± 0.003°
• Cell volume: 1880.52 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 2.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No