Information card for entry 4000357

Structure parameters

• Formula: C15 H19 N5 O10
• Calculated formula: C15 H19 N5 O10
• SMILES: O=N(c1cc(N(=O)=O)c(c(c1)N(=O)=O)[O-])=O.COCCOCCOCc1[nH]cc[nH+]1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 11.8366 ± 0.0003 Å
• b: 25.055 ± 0.001 Å
• c: 13.3242 ± 0.0003 Å
• α: 90°
• β: 102.942 ± 0.001°
• γ: 90°
• Cell volume: 3851.08 ± 0.0003 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No