Information card for entry 7040956

Structure parameters

• Chemical name: G2btk
• Formula: C5 H14 N14 O2
• Calculated formula: C5 H14 N14 O2
• SMILES: C(=[NH2+])(N)N.[n-]1c(C(=O)c2[n-]nnn2)nnn1.O.C(=[NH2+])(N)N
• Title of publication: Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.
• Authors of publication: Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17117 - 17122
• a: 3.6071 ± 0.0014 Å
• b: 19.316 ± 0.008 Å
• c: 18.825 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.6 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No