Information card for entry 4089123

Structure parameters

• Formula: C34 H43 B Br P
• Calculated formula: C34 H43 B Br P
• Title of publication: Amino and Alkyl B-Substituted P-Stabilized Borenium Salts
• Authors of publication: Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3788
• a: 9.737 ± 0.008 Å
• b: 30.025 ± 0.011 Å
• c: 10.84 ± 0.004 Å
• α: 90°
• β: 102.39 ± 0.02°
• γ: 90°
• Cell volume: 3095 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No