Information card for entry 7056204

Structure parameters

• Formula: C4 H5 N7 O10
• Calculated formula: C4 H5 N7 O10
• SMILES: C(=O)(NN(=O)=O)NC(=O)NCC(N(=O)=O)(N(=O)=O)N(=O)=O
• Title of publication: An interesting ring cleavage of 1,2,4-oxadiazole ring
• Authors of publication: Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 7.1401 ± 0.0011 Å
• b: 7.804 ± 0.0013 Å
• c: 10.6428 ± 0.0019 Å
• α: 90°
• β: 109.113 ± 0.003°
• γ: 90°
• Cell volume: 560.34 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No