Information card for entry 7132070

Structure parameters

• Formula: C3 H N7 O8
• Calculated formula: C3 H N7 O8
• Title of publication: Energetic Performance of Trinitromethyl Nitrotriazole (TNMNT) and Its Energetic Salts†
• Authors of publication: Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 6.5694 ± 0.0002 Å
• b: 20.2409 ± 0.0005 Å
• c: 6.5938 ± 0.0002 Å
• α: 90°
• β: 94.206 ± 0.002°
• γ: 90°
• Cell volume: 874.42 ± 0.04 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.043
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No