Information card for entry 4036204

Structure parameters

• Formula: C15 H30 B O2 P
• Calculated formula: C15 H30 B O2 P
• SMILES: [P@](OC12CC3CC(CC(C1)C3)C2)(CO)(C(C)(C)C)[BH3]
• Title of publication: H-adamantylphosphinates as universal precursors of P-stereogenic compounds.
• Authors of publication: Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 8
• Pages of publication: 4132 - 4141
• a: 6.57388 ± 0.00009 Å
• b: 24.3738 ± 0.0003 Å
• c: 10.48088 ± 0.00015 Å
• α: 90°
• β: 96.6403 ± 0.0013°
• γ: 90°
• Cell volume: 1668.09 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No