Information card for entry 2103642

Structure parameters

• Formula: C2 H2 N4 O3
• Calculated formula: C2 H2 N4 O3
• Title of publication: Chemical bonding in energetic materials: β-NTO
• Authors of publication: Zhurova, Elizabeth A.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 359 - 365
• a: 9.3255 ± 0.0001 Å
• b: 5.4503 ± 0.0001 Å
• c: 9.04 ± 0.0001 Å
• α: 90 ± 0.001°
• β: 101.474 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 450.291 ± 0.011 ų
• Cell temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No