Information card for entry 1545974

Structure parameters

• Formula: C8 H14 B O3 P
• Calculated formula: C8 H14 B O3 P
• SMILES: [P@@]12([BH3])O[C@@H](C=C)C[C@@H](O1)C=CCO2
• Title of publication: P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.
• Authors of publication: Markley, Jana L.; Hanson, Paul R.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2552 - 2555
• a: 6.2846 ± 0.0003 Å
• b: 11.2864 ± 0.0006 Å
• c: 14.5243 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1030.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No