Information card for entry 2204818

Structure parameters

• Chemical name: [2-(Dimethylamino)benzyl][(N‒B)-2-(dimethylammonio)benzyl]phenylborate
• Formula: C24 H29 B N2
• Calculated formula: C24 H29 B N2
• SMILES: C1c2ccccc2[N](C)(C)[B]1(Cc1ccccc1N(C)C)c1ccccc1
• Title of publication: [2-(Dimethylamino)benzyl][(<i>N</i>‒<i>B</i>)-2-(dimethylammonio)benzyl]phenylborate
• Authors of publication: Tong, Hong-Bo; Wei, Xue-Hong; Liu, Dian-Sheng; Huang, Shu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2270 - o2272
• a: 7.8909 ± 0.001 Å
• b: 10.2693 ± 0.0014 Å
• c: 13.2831 ± 0.0018 Å
• α: 86.49 ± 0.002°
• β: 72.899 ± 0.002°
• γ: 78.974 ± 0.003°
• Cell volume: 1009.8 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes