Information card for entry 2237139

Structure parameters

• Chemical name: <i>N</i>-(Diphenylcarbamoyl)- <i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate
• Formula: C43 H45 B N4 O
• Calculated formula: C43 H45 B N4 O
• SMILES: C(=[N+](C)C)(N(C)C)N(C)C(=O)N(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-(Diphenylcarbamoyl)-<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: 1
• Pages of publication: o98
• a: 11.0564 ± 0.0004 Å
• b: 9.5942 ± 0.0003 Å
• c: 33.4312 ± 0.0012 Å
• α: 90°
• β: 91.684 ± 0.002°
• γ: 90°
• Cell volume: 3544.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes