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Information card for entry 1566035
Preview
| Coordinates | 1566035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H27 N O5 |
|---|---|
| Calculated formula | C26 H27 N O5 |
| Title of publication | Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea |
| Authors of publication | Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.76363 ± 0.00011 Å |
| b | 11.32074 ± 0.00014 Å |
| c | 13.30299 ± 0.00013 Å |
| α | 97.5 ± 0.0009° |
| β | 93.5092 ± 0.0009° |
| γ | 110.66 ± 0.0012° |
| Cell volume | 1216.15 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 272110 (current) | 2022-01-19 | cif/ Adding structures of 1566033, 1566034, 1566035 via cif-deposit CGI script. |
1566035.cif |
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Users of the data should acknowledge the original authors of the
structural data.