Information card for entry 1557598

Structure parameters

• Formula: C18 H18 F3 N O4
• Calculated formula: C18 H18 F3 N O4
• SMILES: FC(F)(F)[C@@]1(O)C[C@H]([C@H](n2cccc12)C(=O)OC)c1ccc(OC)cc1
• Title of publication: Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives
• Authors of publication: Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3885 - 3892
• a: 10.186 ± 0.00006 Å
• b: 11.3558 ± 0.00007 Å
• c: 15.5296 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.31 ± 0.019 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0374
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No