Information card for entry 7133692

Structure parameters

• Formula: C27 H24 F3 N2 O5 S
• Calculated formula: C27 H24 F3 N2 O5 S
• Title of publication: Organocatalytic enantio- and diastereoselective synthesis of trifluoro-ethylamine allenoate derivatives containing axial and central chiralities.
• Authors of publication: Shi, Siyu; Gu, Mengyun; Chen, Danna; Li, Ruya; Shen, Zhiqiang; Huang, Jinqi; Yan, Wenjin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11116 - 11119
• a: 6.775 ± 0.004 Å
• b: 29.533 ± 0.016 Å
• c: 13.366 ± 0.007 Å
• α: 90°
• β: 96.411 ± 0.007°
• γ: 90°
• Cell volume: 2658 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No