Information card for entry 4109748

Structure parameters

• Formula: C34 H52 B Br Mg N2 O2
• Calculated formula: C34 H52 B Br Mg N2 O2
• Title of publication: Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane
• Authors of publication: Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9570 - 9571
• a: 13.305 ± 0.006 Å
• b: 13.785 ± 0.006 Å
• c: 19.459 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3569 ± 3 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No