Information card for entry 4032779

Structure parameters

• Formula: C16 H19 F3 N2 O4
• Calculated formula: C16 H19 F3 N2 O4
• SMILES: FC(F)(F)[C@]1(NC(=O)C)N(Cc2ccccc2)C(=O)[C@H](OC)[C@H]1OC
• Title of publication: Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.
• Authors of publication: Ben Jamaa, Abdelkhalek; Grellepois, Fabienne
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10360 - 10375
• a: 8.9326 ± 0.0002 Å
• b: 13.1164 ± 0.0003 Å
• c: 14.6638 ± 0.0004 Å
• α: 90 ± 0°
• β: 93.0302 ± 0.0012°
• γ: 90 ± 0°
• Cell volume: 1715.66 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No