Information card for entry 8105193

Structure parameters

• Formula: C11 H12 N8 O9
• Calculated formula: C11 H12 N8 O9
• Title of publication: The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9
• Authors of publication: Wang, Yong; Wu, Bingheng; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 247 - 248
• a: 9.2565 ± 0.0011 Å
• b: 16.629 ± 0.002 Å
• c: 11.2944 ± 0.0013 Å
• α: 90°
• β: 108.945 ± 0.004°
• γ: 90°
• Cell volume: 1644.3 ± 0.3 ų
• Cell temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No