Information card for entry 7119351

Structure parameters

• Formula: C4 H2 Cl2 N10 O8
• Calculated formula: C4 H2 Cl2 N10 O8
• SMILES: O=N(=O)C(N(=O)=O)(Cl)c1nnnn1/N=C(\N)C(Cl)(N(=O)=O)N(=O)=O
• Title of publication: From FOX-7 to H-FOX to insensitive energetic materials with hypergolic properties
• Authors of publication: Srinivas, Dharavath; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Chemical Communications
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 49
• Pages of publication: 7668 - 7671
• a: 10.3037 ± 0.0003 Å
• b: 9.6323 ± 0.0003 Å
• c: 14.3934 ± 0.0004 Å
• α: 90°
• β: 107.927 ± 0.001°
• γ: 90°
• Cell volume: 1359.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No