Information card for entry 7706850

Structure parameters

• Common name: (2-bromo-3-chlorophenyl)bis(2-bromo-6-chlorophenyl)phosphane
• Chemical name: (2-bromo-3-chlorophenyl)bis(2-bromo-6-chlorophenyl)phosphane
• Formula: C18 H9 Br3 Cl3 P
• Calculated formula: C18 H9 Br3 Cl3 P
• Title of publication: Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4772 - 4777
• a: 31.4777 ± 0.0008 Å
• b: 8.5972 ± 0.0002 Å
• c: 14.8825 ± 0.0004 Å
• α: 90°
• β: 94.161 ± 0.003°
• γ: 90°
• Cell volume: 4016.89 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No