Information card for entry 2200733

Structure parameters

• Formula: C5 H6 N4 O7
• Calculated formula: C5 H6 N4 O7
• Title of publication: 2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one
• Authors of publication: Gilardi, Richard D.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o913 - o915
• a: 14.609 ± 0.002 Å
• b: 8.4266 ± 0.0012 Å
• c: 6.9097 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.61 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes