Information card for entry 7241498

Structure parameters

• Formula: C18 H20 F N5 O2
• Calculated formula: C18 H20 F N5 O2
• Title of publication: Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation
• Authors of publication: Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.1057 ± 0.0002 Å
• b: 7.8894 ± 0.0002 Å
• c: 15.5407 ± 0.0004 Å
• α: 90°
• β: 97.325 ± 0.001°
• γ: 90°
• Cell volume: 864.1 ± 0.04 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No