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Information card for entry 1550776
Preview
| Coordinates | 1550776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4437-104 |
|---|---|
| Formula | C25 H18 Cl N O3 |
| Calculated formula | C25 H18 Cl N O3 |
| SMILES | Clc1ccc(n2c3c4c5c(C(C)(C)CC(=O)c25)ccc4c2occ(c2C3=O)C)cc1 |
| Title of publication | Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury |
| Authors of publication | Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.2897 ± 0.0003 Å |
| b | 23.0144 ± 0.001 Å |
| c | 25.5674 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4289.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214278 (current) | 2019-03-22 | cif/ Adding structures of 1550776 via cif-deposit CGI script. |
1550776.cif |
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