Information card for entry 4032780

Structure parameters

• Formula: C18 H19 F3 N2 O6
• Calculated formula: C18 H19 F3 N2 O6
• 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: 9.0437 ± 0.0002 Å
• b: 13.1451 ± 0.0003 Å
• c: 15.6669 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.49 ± 0.08 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: 0.0299
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No