Information card for entry 7135360

Structure parameters

• Formula: C14 H2 N28 O2
• Calculated formula: C14 H4 N28 O2
• Title of publication: Catenated nitrogen-rich triazine-tetrazole molecules for advanced explosives and gas-generator applications.
• Authors of publication: Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 17
• Pages of publication: 4991 - 4995
• a: 12.339 ± 0.003 Å
• b: 6.4087 ± 0.0016 Å
• c: 14.207 ± 0.003 Å
• α: 90°
• β: 102.801 ± 0.007°
• γ: 90°
• Cell volume: 1095.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No