Information card for entry 7242173

Structure parameters

• Formula: C16 H29 N30 O11.5
• Calculated formula: C16 H29 N30 O11.5
• Title of publication: Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions
• Authors of publication: Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 1953 - 1960
• a: 21.16 ± 0.05 Å
• b: 13.182 ± 0.009 Å
• c: 11.89 ± 0.02 Å
• α: 90°
• β: 105.45 ± 0.18°
• γ: 90°
• Cell volume: 3197 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.1039
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No