Information card for entry 7229333

Structure parameters

• Formula: C2 H8 N6 O2
• Calculated formula: C2 H8 N6 O2
• SMILES: O=C(NN)NNC(=O)NN
• Title of publication: A facile method to prepare energetic materials (EMs)
• Authors of publication: Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 76
• Pages of publication: 48161
• a: 9.28 ± 0.003 Å
• b: 4.5988 ± 0.0016 Å
• c: 14.376 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 613.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No