Information card for entry 4038205

Structure parameters

• Common name: ta18
• Formula: C22 H40 F3 N2 O2 P S
• Calculated formula: C22 H40 F3 N2 O2 P S
• Title of publication: Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.
• Authors of publication: Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.8521 ± 0.0003 Å
• b: 10.4233 ± 0.0004 Å
• c: 13.8342 ± 0.0005 Å
• α: 72.0296 ± 0.0013°
• β: 88.1523 ± 0.0012°
• γ: 75.7263 ± 0.0012°
• Cell volume: 1308.15 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No