Information card for entry 7213490

Structure parameters

• Formula: C11 H21 B F4 N2
• Calculated formula: C11 H21 B F4 N2
• SMILES: [B](F)(F)(F)[F-].C(=[NH+]1CCCCC1)N1CCCCC1
• Title of publication: Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes
• Authors of publication: Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1586
• a: 18.086 ± 0.0003 Å
• b: 9.7339 ± 0.0001 Å
• c: 7.6426 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.46 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No