Information card for entry 4076771

Structure parameters

• Formula: C31 H19 B F15 N
• Calculated formula: C31 H19 B F15 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B](CC(=[NH+]\Cc1ccccc1)/C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane
• Authors of publication: Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1400
• a: 16.5297 ± 0.0015 Å
• b: 9.8869 ± 0.0009 Å
• c: 18.07 ± 0.0016 Å
• α: 90°
• β: 104.153 ± 0.0017°
• γ: 90°
• Cell volume: 2863.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No