Information card for entry 7058572

Structure parameters

• Formula: C5 H4 N4 O6
• Calculated formula: C5 H4 N4 O6
• Title of publication: Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material
• Authors of publication: Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12318
• a: 15.7046 ± 0.001 Å
• b: 19.0277 ± 0.001 Å
• c: 8.456 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No