Information card for entry 7241283

Structure parameters

• Formula: C6.5 H6 N12 O13
• Calculated formula: C6.5 H6 N12 O13
• Title of publication: Micronization of CL-20 using supercritical and liquefied gases
• Authors of publication: Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.6149 ± 0.0001 Å
• b: 13.0783 ± 0.0001 Å
• c: 23.3712 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938.85 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No