Information card for entry 7036415

Structure parameters

• Formula: C57 H47 B F10 P2
• Calculated formula: C57 H47 B F10 P2
• SMILES: [P+]1(CC[B](C(P(C#Cc2ccccc2)c2c(cc(cc2C)C)C)=C1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.
• Authors of publication: Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2023 - 2030
• a: 11.349 ± 0.0002 Å
• b: 12.5217 ± 0.0003 Å
• c: 20.7425 ± 0.0004 Å
• α: 103.336 ± 0.002°
• β: 93.017 ± 0.002°
• γ: 108.594 ± 0.001°
• Cell volume: 2692.92 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No