Information card for entry 7218629

Structure parameters

• Formula: C6 H9 N11 O5
• Calculated formula: C6 H9 N11 O5
• SMILES: c1(nn(nn1)[O-])N(=O)=O.C1(C(/C=N/NC(=[NH2+])N)=NON=1=O)C
• Title of publication: Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality
• Authors of publication: Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.3383 ± 0.001 Å
• b: 6.2879 ± 0.0005 Å
• c: 18.1702 ± 0.0012 Å
• α: 90°
• β: 104.761 ± 0.003°
• γ: 90°
• Cell volume: 1252.68 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No