Information card for entry 7240420

Structure parameters

• Formula: C14 H24 N14 O14
• Calculated formula: C14 H24 N14 O14
• Title of publication: Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms
• Authors of publication: Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.344 ± 0.003 Å
• b: 8.2595 ± 0.0017 Å
• c: 24.392 ± 0.005 Å
• α: 90°
• β: 103.25 ± 0.03°
• γ: 90°
• Cell volume: 2616.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No