Information card for entry 2237851

Structure parameters

• Chemical name: 2,4-Bis(dimethylamino)-1,3,5-trimethyl-6-(nitrooxy)borazine
• Formula: C7 H21 B3 N6 O3
• Calculated formula: C7 H21 B3 N6 O3
• SMILES: B1(N(B(N(B(N1C)N(C)C)C)N(C)C)C)ON(=O)=O
• Title of publication: 2,4-Bis(dimethylamino)-1,3,5-trimethyl-6-(nitrooxy)borazine
• 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: 5
• Pages of publication: o634
• a: 8.7017 ± 0.0015 Å
• b: 10.2205 ± 0.0016 Å
• c: 10.3082 ± 0.0015 Å
• α: 117.624 ± 0.002°
• β: 92.371 ± 0.002°
• γ: 113.744 ± 0.002°
• Cell volume: 713.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes