Information card for entry 2212223

Structure parameters

• Common name: 2,8-Dimethyl-1,9-dinitro Tröger's base
• Chemical name: 2,8-Dimethyl-1,9-dinitro-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• Formula: C17 H16 N4 O4
• Calculated formula: C17 H16 N4 O4
• Title of publication: 2,8-Dimethyl-1,9-dinitro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Authors of publication: Bhuiyan, M. Delower H.; Jensen, Paul; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o908 - o909
• a: 7.526 ± 0.002 Å
• b: 8.057 ± 0.002 Å
• c: 13.932 ± 0.003 Å
• α: 92.944 ± 0.003°
• β: 92.93 ± 0.003°
• γ: 115.649 ± 0.002°
• Cell volume: 758 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes