Information card for entry 4065454

Structure parameters

• Formula: C32 H26 B Cl2 F10 N
• Calculated formula: C32 H26 B Cl2 F10 N
• SMILES: [N+](=C(C1=C(C=CC1)/C(=C/[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C)c1ccc(cc1)C)C)(C)C.C(Cl)Cl
• Title of publication: 6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry
• Authors of publication: Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5080
• a: 9.7372 ± 0.0006 Å
• b: 11.0694 ± 0.0003 Å
• c: 15.0935 ± 0.0011 Å
• α: 97.558 ± 0.003°
• β: 103.801 ± 0.005°
• γ: 92.972 ± 0.002°
• Cell volume: 1560.3 ± 0.16 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: 0.0688
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No