Information card for entry 4076975

Structure parameters

• Formula: C17 H17 F3 N2 O3 S
• Calculated formula: C17 H17 F3 N2 O3 S
• Title of publication: Palladium-Assisted Formation of Carbon−Carbon Bonds. Part 10.1Insertion Reactions of Isocyanides into the Pd−C Bond of Orthopalladated Primary Amines. Synthesis of 2-R-Aminoisoindolinium Salts (R =tBu, 2,6-Xylyl)
• Authors of publication: Vicente, José; Saura-Llamas, Isabel; Grünwald, Claus; Alcaraz, Carmen; Jones, Peter G.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3587
• a: 10.5482 ± 0.0012 Å
• b: 11.9641 ± 0.0014 Å
• c: 13.9946 ± 0.0016 Å
• α: 90°
• β: 100.052 ± 0.003°
• γ: 90°
• Cell volume: 1739 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No