Information card for entry 2237358

Structure parameters

• Chemical name: 6-Chloro-2,4-bis(dimethylamino)-1,3,5-trimethylborazine
• Formula: C7 H21 B3 Cl N5
• Calculated formula: C7 H21 B3 Cl N5
• SMILES: B1(N(B(N(B(N1C)N(C)C)C)N(C)C)C)Cl
• Title of publication: 6-Chloro-2,4-bis(dimethylamino)-1,3,5-trimethylborazine
• Authors of publication: Rodriguez, Mark A.; Borek, Theodore T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o309
• a: 8.493 ± 0.003 Å
• b: 10.285 ± 0.003 Å
• c: 15.247 ± 0.005 Å
• α: 90°
• β: 94.512 ± 0.004°
• γ: 90°
• Cell volume: 1327.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes