Information card for entry 7127530

Structure parameters

• Formula: C24 H43 B Li O P
• Calculated formula: C24 H43 B Li O P
• SMILES: [P](C(C)C)(c1c(cccc1)[B]12C3CCCC1CCC3)(C(C)C)[Li]([H]2)[O](CC)CC
• Title of publication: Synthesis and reactivity of phosphine borohydride compounds.
• Authors of publication: Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 375 - 378
• a: 16.0009 ± 0.00004 Å
• b: 9.969 ± 0.00004 Å
• c: 16.2184 ± 0.00004 Å
• α: 90°
• β: 108.181 ± 0.004°
• γ: 90°
• Cell volume: 2457.89 ± 0.06 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No