Information card for entry 7022608

Structure parameters

• Formula: C19 H13 F3 N2 O
• Calculated formula: C19 H13 F3 N2 O
• SMILES: FC(F)(F)C(/Nc1cccc2cccnc12)=C/C(=O)c1ccccc1
• Title of publication: Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.
• Authors of publication: Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5573 - 5586
• a: 31.3066 ± 0.0017 Å
• b: 31.3066 ± 0.0017 Å
• c: 8.0145 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6802.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No