Information card for entry 7237192

Structure parameters

• Formula: C7 H5 N5 O2
• Calculated formula: C7 H5 N5 O2
• Title of publication: Azasydnone ‒ novel “green” building block for designing high energetic compounds
• Authors of publication: Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 18669
• a: 11.1512 ± 0.0005 Å
• b: 17.278 ± 0.0007 Å
• c: 12.9735 ± 0.0005 Å
• α: 90°
• β: 106.259 ± 0.001°
• γ: 90°
• Cell volume: 2399.64 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No