Information card for entry 7247957

Structure parameters

• Formula: C8 H19 N3 O6
• Calculated formula: C8 H19 N3 O6
• Title of publication: Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine
• Authors of publication: Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 943 - 950
• a: 5.0124 ± 0.0003 Å
• b: 15.2769 ± 0.001 Å
• c: 16.3628 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.96 ± 0.13 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No