Information card for entry 4125640

Structure parameters

• Formula: C20 H25 B O3 S
• Calculated formula: C20 H25 B O3 S
• Title of publication: Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron "Ate" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger.
• Authors of publication: Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 3153 - 3160
• a: 10.818 ± 0.002 Å
• b: 14.5 ± 0.003 Å
• c: 12.569 ± 0.003 Å
• α: 90°
• β: 102.765 ± 0.004°
• γ: 90°
• Cell volume: 1922.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No