Information card for entry 2209839

Structure parameters

• Chemical name: 2,4,6-Tris(dimethylamino)-1,3,5-trimethylborazine
• Formula: C9 H27 B3 N6
• Calculated formula: C9 H27 B3 N6
• SMILES: B1(N(B(N(B(N1C)N(C)C)C)N(C)C)C)N(C)C
• Title of publication: 2,4,6-Tris(dimethylamino)-1,3,5-trimethylborazine
• Authors of publication: Rodriguez, Mark A.; Borek, Theodore T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3341 - o3343
• a: 8.998 ± 0.002 Å
• b: 10.043 ± 0.002 Å
• c: 10.098 ± 0.002 Å
• α: 119.045 ± 0.003°
• β: 100.581 ± 0.004°
• γ: 99.473 ± 0.003°
• Cell volume: 749.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes