Information card for entry 4076762

Structure parameters

• Formula: C44 H58 O6 Ti2
• Calculated formula: C44 H58 O6 Ti2
• SMILES: c1ccc2C([Ti]3([O](C(C)C)[Ti](C4c5ccccc5c5ccccc45)([O]3C(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)c3ccccc3c2c1
• Title of publication: (Fluorenyl)titanium Triisopropoxide and Bis(fluorenyl)titanium Diisopropoxide: A Facile Synthesis, Molecular Structure, and Catalytic Activity in Styrene Polymerization
• Authors of publication: Knjazhanski, Sergei Ya.; Cadenas, Gregorio; García, Maricela; Pérez, Catalina M.; Nifant'ev, Ilya E.; Kashulin, Igor A.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3094
• a: 11.959 ± 0.0017 Å
• b: 16.271 ± 0.003 Å
• c: 21.31 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4146.6 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No