Information card for entry 4036206

Structure parameters

• Formula: C17 H23 O3 P
• Calculated formula: C17 H23 O3 P
• SMILES: C12(CC3CC(C1)CC(C2)C3)O[P@](=O)(c1ccccc1)CO
• 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: 6.5151 ± 0.0001 Å
• b: 10.6435 ± 0.0002 Å
• c: 11.8462 ± 0.0003 Å
• α: 90°
• β: 104.009 ± 0.001°
• γ: 90°
• Cell volume: 797.02 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No