Information card for entry 7049894

Structure parameters

• Formula: C10.5 H4.75 N16.25 O10
• Calculated formula: C10.5 H4.75 N16.25 O10
• Title of publication: Energetic furazan-triazole hybrid with dinitromethyl and nitramino groups: decreasing sensitivity via the formation of a planar anion.
• Authors of publication: Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7677 - 7684
• a: 21.7441 ± 0.0005 Å
• b: 9.4048 ± 0.0002 Å
• c: 39.3917 ± 0.0009 Å
• α: 90°
• β: 104.749 ± 0.001°
• γ: 90°
• Cell volume: 7790.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No