Information card for entry 7241987

Structure parameters

• Formula: C3 H14 N6 O6
• Calculated formula: C3 H14 N6 O6
• SMILES: Nc1n(=O)c(N)nc(N)n1=O.O.O.O.O
• Title of publication: Synthetic and thermal studies of four insensitive energetic materials based on oxidation of the melamine structure
• Authors of publication: Zhang, Jiarong; Bi, Fuqiang; Zhang, Junlin; Wang, Xiaohong; Yang, Zhi; Zhang, Guofang; Wang, Bozhou
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 288 - 295
• a: 8.923 ± 0.002 Å
• b: 6.9505 ± 0.0018 Å
• c: 16.162 ± 0.004 Å
• α: 90°
• β: 94.259 ± 0.009°
• γ: 90°
• Cell volume: 999.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0313
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.081
• 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