Information card for entry 7127269

Structure parameters

• Formula: C6 N12 O16
• Calculated formula: C6 N12 O16
• Title of publication: Octanitropyrazolopyrazole: a gem-trinitromethyl based green high-density energetic oxidizer.
• Authors of publication: Mohammad, Khaja; Thaltiri, Vikranth; Kommu, Nagarjuna; Vargeese, Anuj A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 85
• Pages of publication: 12945 - 12948
• a: 9.6672 ± 0.0006 Å
• b: 9.6302 ± 0.0005 Å
• c: 9.0564 ± 0.0006 Å
• α: 90°
• β: 101.776 ± 0.002°
• γ: 90°
• Cell volume: 825.38 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No