Information card for entry 4506920

Structure parameters

• Formula: C8 H10 N16 O16
• Calculated formula: C8 H10 N16 O16
• Title of publication: High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX
• Authors of publication: Bolton, Onas; Simke, Leah R.; Pagoria, Philip F.; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4311
• a: 16.3455 ± 0.0012 Å
• b: 9.9361 ± 0.0005 Å
• c: 12.1419 ± 0.0007 Å
• α: 90°
• β: 99.233 ± 0.007°
• γ: 90°
• Cell volume: 1946.4 ± 0.2 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 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 significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No