Information card for entry 7236401

Structure parameters

• Formula: C8 H7 N5 O2
• Calculated formula: C8 H7 N5 O2
• 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: 8.162 ± 0.007 Å
• b: 12.424 ± 0.011 Å
• c: 9.201 ± 0.008 Å
• α: 90°
• β: 104.868 ± 0.014°
• γ: 90°
• Cell volume: 901.8 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No