Information card for entry 1515756

Structure parameters

• Formula: C13 H14 B O P
• Calculated formula: C13 H14 B O P
• SMILES: [P]1(OCc2c1cccc2)(c1ccccc1)[BH3]
• Title of publication: Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.
• Authors of publication: Rast, Slavko; Mohar, Barbara; Stephan, Michel
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2688 - 2691
• a: 11.8787 ± 0.0002 Å
• b: 8.9358 ± 0.0002 Å
• c: 12.7533 ± 0.0003 Å
• α: 90°
• β: 108.685 ± 0.002°
• γ: 90°
• Cell volume: 1282.36 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No