Information card for entry 4107001

Structure parameters

• Formula: C25 H39 B Mg N4 O3
• Calculated formula: C25 H39 B Mg N4 O3
• SMILES: [Mg]12([N]4C(COC=4[B](C4=[N]1C(CO4)(C)C)(C1=[N]2C(CO1)(C)C)c1ccccc1)(C)C)NC(C)(C)C
• Title of publication: Tris(oxazolinyl)boratomagnesium-Catalyzed Cross-Dehydrocoupling of Organosilanes with Amines, Hydrazine, and Ammonia
• Authors of publication: James F. Dunne; Steven R. Neal; Joshua Engelkemier; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16782 - 16785
• a: 9.079 ± 0.003 Å
• b: 11.802 ± 0.004 Å
• c: 13.768 ± 0.005 Å
• α: 80.007 ± 0.006°
• β: 72.445 ± 0.006°
• γ: 87.753 ± 0.006°
• Cell volume: 1385.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No