Information card for entry 7053398

Structure parameters

• Formula: C34 H33 B N2
• Calculated formula: C34 H33 B N2
• SMILES: C1(=[NH+]CCN1C)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Amidinium based ionic liquids
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1184
• a: 9.7552 ± 0.0009 Å
• b: 15.9976 ± 0.0013 Å
• c: 17.384 ± 0.0016 Å
• α: 90°
• β: 99.527 ± 0.002°
• γ: 90°
• Cell volume: 2675.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1043
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No