Information card for entry 7112841

Structure parameters

• Formula: C34 H34 B O2 P
• Calculated formula: C34 H34 B O2 P
• SMILES: [BH3][P](c1ccccc1)(CC(c1ccccc1)(c1ccccc1)O)CC(c1ccccc1)(c1ccccc1)O
• Title of publication: Unexpected direct dilithiation of a prochiral phosphine borane.
• Authors of publication: Gessner, Viktoria H.; Dilsky, Stefan; Strohmann, Carsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4719 - 4721
• a: 11.9867 ± 0.0015 Å
• b: 13.8915 ± 0.0011 Å
• c: 17.6964 ± 0.0016 Å
• α: 90°
• β: 109.362 ± 0.012°
• γ: 90°
• Cell volume: 2780 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No