Information card for entry 7233753

Structure parameters

• Formula: C4 H4 N10 O5
• Calculated formula: C4 H4 N10 O5
• Title of publication: Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties
• Authors of publication: Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 40
• Pages of publication: 6093
• a: 10.0899 ± 0.0007 Å
• b: 7.744 ± 0.0005 Å
• c: 13.7323 ± 0.0009 Å
• α: 90°
• β: 110.922 ± 0.002°
• γ: 90°
• Cell volume: 1002.24 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No