Information card for entry 7131199

Structure parameters

• Formula: C4 H2 N8 O10
• Calculated formula: C4 H2 N8 O10
• Title of publication: Can a heavy trinitromethyl group always result in a higher density?
• Authors of publication: Ding, Ning; Sun, Qi; Xu, Xudong; Li, Yaqiong; Zhao, Chaofeng; Li, Shenghua; Pang, Siping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 14
• Pages of publication: 1939 - 1942
• a: 8.033 ± 0.003 Å
• b: 11.591 ± 0.005 Å
• c: 12.1 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No