Information card for entry 4514897

Structure parameters

• Formula: C19 H26 B P
• Calculated formula: C19 H26 B P
• SMILES: [P](c1ccccc1)(c1ccccc1)(C1(CCCCC1)C)[BH3]
• Title of publication: Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates
• Authors of publication: Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 9764
• a: 9.4514 ± 0.0002 Å
• b: 18.192 ± 0.0004 Å
• c: 9.7634 ± 0.0002 Å
• α: 90°
• β: 90.35 ± 0.002°
• γ: 90°
• Cell volume: 1678.69 ± 0.06 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No