Information card for entry 7011627

Structure parameters

• Formula: C24 H38 B O P
• Calculated formula: C24 H38 B O P
• SMILES: [PH](Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(c1ccccc1)[BH3]
• Title of publication: Synthesis, characterization and thermolysis of phosphinite–borane adducts: investigation of an unusual thermally-induced phenol elimination reaction
• Authors of publication: Rivard, Eric; Lough, Alan J.; Manners, Ian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 2966
• a: 18.0012 ± 0.0004 Å
• b: 8.0595 ± 0.0002 Å
• c: 18.4874 ± 0.0004 Å
• α: 90°
• β: 98.736 ± 0.001°
• γ: 90°
• Cell volume: 2651.05 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0896
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No