Information card for entry 7236406

Structure parameters

• Formula: C7 H4 N8 O6
• Calculated formula: C7 H3.987 N7.987 O6
• 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: 7.9223 ± 0.0005 Å
• b: 18.592 ± 0.0011 Å
• c: 7.561 ± 0.0006 Å
• α: 90°
• β: 98.73 ± 0.002°
• γ: 90°
• Cell volume: 1100.77 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No