Information card for entry 7058570

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: 6.5935 ± 0.0011 Å
• b: 7.7118 ± 0.0014 Å
• c: 11.559 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 587.75 ± 0.18 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No