Information card for entry 7025826

Structure parameters

• Formula: C37 H35 B F10 N P
• Calculated formula: C37 H35 B F10 N P
• SMILES: P(CC[B](C#[N]C(C)(C)C)(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: Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair.
• Authors of publication: Mömming, Cornelia M; Kehr, Gerald; Wibbeling, Birgit; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7556 - 7564
• a: 10.4592 ± 0.0004 Å
• b: 13.2592 ± 0.0005 Å
• c: 14.5233 ± 0.0007 Å
• α: 99.281 ± 0.002°
• β: 99.394 ± 0.002°
• γ: 110.205 ± 0.003°
• Cell volume: 1812.55 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No