Information card for entry 7104918

Structure parameters

• Formula: C19 H13 F3 O2
• Calculated formula: C19 H13 F3 O2
• SMILES: FC(F)(F)C(=C\C(=O)c1ccccc1)\c1ccccc1/C=C/C=O
• Title of publication: Highly enantioselective intramolecular Michael reactions by D-camphor-derived triazolium salts.
• Authors of publication: Li, Yi; Wang, Xue-Qiang; Zheng, Chao; You, Shu-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 5823 - 5825
• a: 8.9074 ± 0.0011 Å
• b: 15.5638 ± 0.0019 Å
• c: 24.123 ± 0.003 Å
• α: 90°
• β: 95.334 ± 0.002°
• γ: 90°
• Cell volume: 3329.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No