Information card for entry 4103702

Structure parameters

• Formula: C59 H77 B2 Mg N6 O6
• Calculated formula: C59 H77 B2 Mg N6 O6
• Title of publication: Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination
• Authors of publication: James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17680 - 17683
• a: 10.8305 ± 0.001 Å
• b: 16.6235 ± 0.0015 Å
• c: 17.299 ± 0.0016 Å
• α: 98.553 ± 0.002°
• β: 103.684 ± 0.002°
• γ: 95.163 ± 0.002°
• Cell volume: 2967 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No