Information card for entry 7218626

Structure parameters

• Formula: C40 H38 B O2 P
• Calculated formula: C40 H38 B O2 P
• SMILES: [P]([BH3])([C@H]([C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.316 ± 0.0015 Å
• b: 14.835 ± 0.003 Å
• c: 12.035 ± 0.0019 Å
• α: 90°
• β: 102.299 ± 0.003°
• γ: 90°
• Cell volume: 1625.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No