Information card for entry 7119350

Structure parameters

• Formula: C6 Cl8 N10 O8
• Calculated formula: C6 Cl8 N10 O8
• SMILES: C(C(=N/Cl)/N=N/C(Cl)(Cl)C(/N=N/C(=N\Cl)C(N(=O)=O)(N(=O)=O)Cl)(Cl)Cl)(N(=O)=O)(N(=O)=O)Cl
• 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: 6.1067 ± 0.0002 Å
• b: 13.7465 ± 0.0004 Å
• c: 12.4167 ± 0.0003 Å
• α: 90°
• β: 96.024 ± 0.001°
• γ: 90°
• Cell volume: 1036.57 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No