Information card for entry 4032734

Structure parameters

• Formula: C11 H31 B N O P
• Calculated formula: C11 H31 B N O P
• SMILES: [BH3][P@@](=O)(C(C)(C)C)C.C(C)(C)[NH2+]C(C)C
• Title of publication: Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.
• Authors of publication: Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 7065 - 7069
• a: 8.0848 ± 0.0001 Å
• b: 13.4851 ± 0.0001 Å
• c: 14.869 ± 0.0002 Å
• α: 90°
• β: 103.63 ± 0.001°
• γ: 90°
• Cell volume: 1575.43 ± 0.03 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No