Information card for entry 4119940

Structure parameters

• Formula: C33 H43 B Cl Li O2 P2 S
• Calculated formula: C33 H43 B Cl Li O2 P2 S
• Title of publication: Facile B-H Bond Activation of Borane by Stable Carbenoid Species
• Authors of publication: Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8774 - 8777
• a: 10.664 ± 0.001 Å
• b: 17.001 ± 0.001 Å
• c: 19.878 ± 0.001 Å
• α: 89.863 ± 0.001°
• β: 81.233 ± 0.001°
• γ: 72.371 ± 0.001°
• Cell volume: 3390.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No