Information card for entry 7249686

Structure parameters

• Formula: C18 H28 N12 O3
• Calculated formula: C18 H28 N12 O3
• Title of publication: A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity
• Authors of publication: Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 311 - 324
• a: 10.205 ± 0.002 Å
• b: 10.512 ± 0.002 Å
• c: 11.184 ± 0.003 Å
• α: 90.85 ± 0.004°
• β: 94.688 ± 0.004°
• γ: 96.027 ± 0.004°
• Cell volume: 1188.8 ± 0.5 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: 0.0917
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No