Information card for entry 7712671

Structure parameters

• Formula: C45 H28 B F15 N P
• Calculated formula: C45 H28 B F15 N P
• Title of publication: Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines
• Authors of publication: Kim, Hyehwang; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.9807 ± 0.0008 Å
• b: 17.4205 ± 0.0011 Å
• c: 21.3172 ± 0.0013 Å
• α: 90°
• β: 90.842 ± 0.003°
• γ: 90°
• Cell volume: 4077.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No