Information card for entry 7237159

Structure parameters

• Formula: C4 H15 N9 O12
• Calculated formula: C4 H15 N9 O12
• Title of publication: Taming of tetranitroethane: a promising precursor for high performance energetic ingredients
• Authors of publication: Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 32
• Pages of publication: 15815
• a: 8.1131 ± 0.001 Å
• b: 8.6292 ± 0.001 Å
• c: 11.1334 ± 0.0013 Å
• α: 106.97 ± 0.001°
• β: 93.53 ± 0.001°
• γ: 105.554 ± 0.001°
• Cell volume: 709.89 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No