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Information card for entry 1566033
Preview
| Coordinates | 1566033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H28 N O6 S |
|---|---|
| Calculated formula | C25 H28 N O6 S |
| 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 | 10.34486 ± 0.00014 Å |
| b | 10.19459 ± 0.00012 Å |
| c | 12.07537 ± 0.00018 Å |
| α | 90° |
| β | 105.047 ± 0.0015° |
| γ | 90° |
| Cell volume | 1229.82 ± 0.03 Å3 |
| Cell temperature | 303.37 ± 0.1 K |
| Ambient diffraction temperature | 303.37 ± 0.1 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 | 0.0386 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
1566033.cif |
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Users of the data should acknowledge the original authors of the
structural data.