Information card for entry 7218620

Structure parameters

• Formula: C22 H38 B O2 P
• Calculated formula: C22 H38 B O2 P
• SMILES: [BH3][P](C1CCCCC1)(C1CCCCC1)[C@H](c1ccccc1)[C@H](COC)O
• Title of publication: Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles
• Authors of publication: Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.88 Å
• b: 10.507 Å
• c: 20.929 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2172.62 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: 0.0359
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No