Information card for entry 7104730

Structure parameters

• Common name: 2,2,4,4-tetramethylpiperidinium 1,8- bis(dipentafluorophenylhydroboryl)-naphthalene.
• Chemical name: 2,2,4,4-tetramethylpiperidinium 1,8-bis(dipentafluorophenylhydroboryl)-naphthalene.
• Formula: C49 H33 B2 F20 N
• Calculated formula: C49 H33 B2 F20 N
• Title of publication: Metal-free hydrogen activation and hydrogenation of imines by 1,8-bis(dipentafluorophenylboryl)naphthalene.
• Authors of publication: Jiang, Chunfang; Blacque, Olivier; Berke, Heinz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5518 - 5520
• a: 28.2693 ± 0.0009 Å
• b: 16.9611 ± 0.0005 Å
• c: 18.6599 ± 0.0009 Å
• α: 90°
• β: 96.118 ± 0.003°
• γ: 90°
• Cell volume: 8896.1 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1924
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No