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Information card for entry 1555431
Preview
| Coordinates | 1555431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 Cl N2 O5 |
|---|---|
| Calculated formula | C20 H15 Cl N2 O5 |
| Title of publication | Direct Catalytic Asymmetric Synthesis of β-Hydroxy Acids from Malonic Acid. |
| Authors of publication | Gao, Hang; Luo, Zhenli; Ge, Pingjin; He, Junqian; Zhou, Feng; Zheng, Peipei; Jiang, Jun |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 5962 - 5965 |
| a | 12.275 ± 0.003 Å |
| b | 11.187 ± 0.002 Å |
| c | 13.371 ± 0.003 Å |
| α | 90° |
| β | 104.835 ± 0.004° |
| γ | 90° |
| Cell volume | 1774.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238662 (current) | 2019-11-24 | cif/ Adding structures of 1555431 via cif-deposit CGI script. |
1555431.cif |
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