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Information card for entry 7247952
Preview
| Coordinates | 7247952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H15 N3 O4 |
|---|---|
| Calculated formula | C8 H15 N3 O4 |
| 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 | 5.0351 ± 0.0002 Å |
| b | 25.7114 ± 0.001 Å |
| c | 8.667 ± 0.0003 Å |
| α | 90° |
| β | 106.89 ± 0.004° |
| γ | 90° |
| Cell volume | 1073.63 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290152 (current) | 2024-03-04 | cif/ Updating files of 7247952, 7247953, 7247954, 7247955, 7247956, 7247957 Original log message: Adding full bibliography for 7247952--7247957.cif. |
7247952.cif |
| 288684 | 2024-01-05 | cif/ Adding structures of 7247952, 7247953, 7247954, 7247955, 7247956, 7247957 via cif-deposit CGI script. |
7247952.cif |
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Users of the data should acknowledge the original authors of the
structural data.