Information card for entry 7245771

Structure parameters

• Formula: C7 H13 N13 O3
• Calculated formula: C7 H13 N13 O3
• Title of publication: Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole
• Authors of publication: Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 6.4345 ± 0.0005 Å
• b: 9.3017 ± 0.0007 Å
• c: 11.9277 ± 0.0009 Å
• α: 76.64 ± 0.002°
• β: 84.469 ± 0.003°
• γ: 81.237 ± 0.002°
• Cell volume: 685.08 ± 0.09 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: 0.0546
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No