Information card for entry 7236327

Structure parameters

• Formula: C4 H6 N10 O2
• Calculated formula: C4 H6 N10 O2
• Title of publication: Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds
• Authors of publication: Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 9931
• a: 10.042 ± 0.008 Å
• b: 6.453 ± 0.005 Å
• c: 27.04 ± 0.02 Å
• α: 90°
• β: 99.147 ± 0.011°
• γ: 90°
• Cell volume: 1730 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1221
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2689
• Weighted residual factors for all reflections included in the refinement: 0.2974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No