Information card for entry 7127201

Structure parameters

• Chemical name: 1-BMes
• Formula: C44 H63 B N3 O P2 Rh
• Calculated formula: C44 H63 B N3 O P2 Rh
• Title of publication: Reversible dehydrogenation of a primary aryl borane.
• Authors of publication: MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12323 - 12326
• a: 14.5167 ± 0.0003 Å
• b: 18.5067 ± 0.0004 Å
• c: 19.7008 ± 0.0006 Å
• α: 65.627 ± 0.002°
• β: 88.777 ± 0.002°
• γ: 77.349 ± 0.002°
• Cell volume: 4689.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No