Information card for entry 2200747

Structure parameters

• Formula: C15 H28 N4 O4
• Calculated formula: C15 H28 N4 O4
• Title of publication: 3,7-Di-<i>tert</i>-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
• Authors of publication: Flippen-Anderson, Judith L.; Axenrod, Theodore; Sun, Jianguang; Gilardi, Richard D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1128 - o1129
• a: 11.9782 ± 0.0002 Å
• b: 9.9382 ± 0.0001 Å
• c: 30.5174 ± 0.0004 Å
• α: 90°
• β: 100.812 ± 0.001°
• γ: 90°
• Cell volume: 3568.35 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes