Information card for entry 7241496

Structure parameters

• Formula: C20 H26 F N5 O3
• Calculated formula: C20 H26 F N5 O3
• 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: 7.1053 ± 0.0002 Å
• b: 7.9388 ± 0.0003 Å
• c: 18.2289 ± 0.0006 Å
• α: 90°
• β: 96.723 ± 0.001°
• γ: 90°
• Cell volume: 1021.18 ± 0.06 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240.15 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: 0.0363
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No