Information card for entry 7218630

Structure parameters

• Formula: C8 H13 N13 O4
• Calculated formula: C8 H13 N13 O4
• SMILES: c1(c(c2[n-]nnn2)non1)N.C1(C(/C=N/[NH+]=C(N)N)=NON=1=O)C.O
• 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: 9.3457 ± 0.0006 Å
• b: 25.7804 ± 0.0017 Å
• c: 13.4303 ± 0.0009 Å
• α: 90°
• β: 109.414 ± 0.0019°
• γ: 90°
• Cell volume: 3051.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No