Information card for entry 7122908

Structure parameters

• Formula: C26 H32 N30 O12
• Calculated formula: C26 H32 N30 O12
• 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: 9.5919 ± 0.0004 Å
• b: 12.883 ± 0.0006 Å
• c: 17.5266 ± 0.0008 Å
• α: 100.243 ± 0.001°
• β: 96.534 ± 0.001°
• γ: 101.589 ± 0.002°
• Cell volume: 2062.57 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No