Information card for entry 7115657

Structure parameters

• Formula: C14 H26 B7 N2
• Calculated formula: C14 H26 B7 N2
• Title of publication: Lewis base activation of borane-dimethylsulfide into strongly reducing ion pairs for the transformation of carbon dioxide to methoxyboranes
• Authors of publication: Marc-Andre Legare; Marc-Andre Courtemanche; Frederic-Georges Fontaine
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11362
• a: 9.6172 ± 0.0011 Å
• b: 9.7108 ± 0.0011 Å
• c: 10.0025 ± 0.0012 Å
• α: 96.336 ± 0.002°
• β: 109.264 ± 0.002°
• γ: 102.874 ± 0.002°
• Cell volume: 842.34 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No