Information card for entry 7207297

Structure parameters

• Chemical name: 3-nitro-5-methoxy-1,2,4-oxadiazole
• Formula: C4 H7 N5 O2
• Calculated formula: C4 H7 N5 O2
• SMILES: o1nc(OC)nc1N=C(N)N
• Title of publication: Synthesis and characteristics of a novel, high-nitrogen, heat-resistant, insensitive material (NOG2Tz)
• Authors of publication: Fu, Zhanda; He, Cheng; Chen, Fu-xue
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 60
• a: 7.129 ± 0.003 Å
• b: 13.514 ± 0.005 Å
• c: 6.915 ± 0.003 Å
• α: 90°
• β: 91.715 ± 0.005°
• γ: 90°
• Cell volume: 665.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No