Information card for entry 4082425

Structure parameters

• Common name: Moris-265 (Tatiana)
• Formula: C21 H16 F5 N3
• Calculated formula: C21 H16 F5 N3
• SMILES: C(=N\c1c(c(c(c(c1F)F)F)F)F)(\c1ccc(cc1)C)NCCc1ccccn1
• Title of publication: Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene
• Authors of publication: Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 840
• a: 22.345 ± 0.003 Å
• b: 10.639 ± 0.001 Å
• c: 15.962 ± 0.002 Å
• α: 90°
• β: 98.367 ± 0.003°
• γ: 90°
• Cell volume: 3754.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No