Information card for entry 7238465

Structure parameters

• Formula: C22 H39 F3 N O3 P Pd S
• Calculated formula: C22 H39 F3 N O3 P Pd S
• Title of publication: Hydroamination of 1,1-dimethylallene with primary aryl amines under mild conditions: An atom-economical route to N-(1,1-dimethyl-2-propenyl)-anilines
• Authors of publication: Beck, John F.; Schmidt, Joseph A.R.
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 128
• a: 11.227 ± 0.002 Å
• b: 8.4499 ± 0.0017 Å
• c: 27.587 ± 0.006 Å
• α: 90°
• β: 91.82 ± 0.03°
• γ: 90°
• Cell volume: 2615.8 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No