Information card for entry 4032778

Structure parameters

• Formula: C26 H24 F3 N O4
• Calculated formula: C26 H24 F3 N O4
• SMILES: FC(F)(F)[C@@]1(O)N(C(=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)Cc1ccccc1
• 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: 10.2367 ± 0.0004 Å
• b: 10.4404 ± 0.0004 Å
• c: 21.1129 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2256.45 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No