Information card for entry 7134629

Structure parameters

• Formula: C21 H39 N23 O8
• Calculated formula: C21 H39 N23 O8
• Title of publication: Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy
• Authors of publication: Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 54
• Pages of publication: 9924 - 9927
• a: 13.9342 ± 0.0001 Å
• b: 14.6464 ± 0.0002 Å
• c: 16.6514 ± 0.0002 Å
• α: 90°
• β: 98.281 ± 0.001°
• γ: 90°
• Cell volume: 3362.88 ± 0.07 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: 0.0696
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No