Information card for entry 7122907

Structure parameters

• Formula: C10 H9 N11 O6
• Calculated formula: C10 H9 N11 O6
• Title of publication: Polycyclic N-Oxides: High Performing, Low Sensitivity Energetic Materials
• Authors of publication: Snyder, Christopher; Wells, Lucille; Chavez, David; Imler, Gregory H.; Parrish, Damon A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.5158 ± 0.0003 Å
• b: 9.6613 ± 0.0005 Å
• c: 27.7811 ± 0.0014 Å
• α: 90°
• β: 93.635 ± 0.002°
• γ: 90°
• Cell volume: 1477.47 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No