Information card for entry 7118142

Structure parameters

• Formula: C12 H20 B O2 P
• Calculated formula: C12 H20 B O2 P
• SMILES: [BH3][P@](C(C)(C)C)(C)OC(=O)c1ccccc1
• Title of publication: Stereospecific SN2@P reactions: novel access to bulky P-stereogenic ligands.
• Authors of publication: Orgué, Sílvia; Flores-Gaspar, Areli; Biosca, Maria; Pàmies, Oscar; Diéguez, Montserrat; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 99
• Pages of publication: 17548 - 17551
• a: 10.596 ± 0.0009 Å
• b: 11.039 ± 0.0009 Å
• c: 11.6053 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1357.46 ± 0.19 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: 0.0316
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No