Information card for entry 7236402

Structure parameters

• Formula: C8 H6 N6 O4
• Calculated formula: C8 H6 N6 O4
• Title of publication: Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies
• Authors of publication: Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 7366
• a: 13.869 ± 0.009 Å
• b: 5.589 ± 0.002 Å
• c: 14.8 ± 0.012 Å
• α: 90°
• β: 117.46 ± 0.09°
• γ: 90°
• Cell volume: 1018 ± 1.4 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: 0.1009
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No