Information card for entry 2238168

Structure parameters

• Chemical name: <i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate
• Formula: C35 H47 B N4
• Calculated formula: C35 H47 B N4
• SMILES: C(N(C)C)(N(C)C)=[N+](C)CCCN(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate
• Authors of publication: Tiritiris, Ioannis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1040
• a: 20.5074 ± 0.0007 Å
• b: 15.4134 ± 0.0005 Å
• c: 9.8568 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3115.62 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes