Information card for entry 4076768

Structure parameters

• Formula: C33 H15 B F15 N
• Calculated formula: C33 H15 B F15 N
• SMILES: [B]([N](=C(C)c1ccccc1)Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)(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: 9.612 ± 0.0003 Å
• b: 11.4664 ± 0.0004 Å
• c: 13.4295 ± 0.0004 Å
• α: 79.983 ± 0.002°
• β: 88.101 ± 0.002°
• γ: 81.8331 ± 0.0011°
• Cell volume: 1442.73 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No