Information card for entry 4038611

Structure parameters

• Formula: C10 H16 F3 N O6
• Calculated formula: C10 H16 F3 N O6
• Title of publication: cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions
• Authors of publication: Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 8.8728 ± 0.0004 Å
• b: 11.3215 ± 0.0005 Å
• c: 13.0054 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1306.44 ± 0.1 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: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No