Information card for entry 7058571

Structure parameters

• Formula: C4 H3 N3 O4
• Calculated formula: C4 H3 N3 O4
• 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: 9.0328 ± 0.0006 Å
• b: 10.8978 ± 0.0009 Å
• c: 12.4228 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.87 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No