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Information card for entry 1562966
Preview
| Coordinates | 1562966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 Cl2 N3 O4 |
|---|---|
| Calculated formula | C21 H21 Cl2 N3 O4 |
| Title of publication | Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase |
| Authors of publication | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao |
| Journal of publication | Journal of Medicinal Chemistry |
| Year of publication | 2021 |
| a | 12.9023 ± 0.0017 Å |
| b | 12.742 ± 0.0014 Å |
| c | 18.9596 ± 0.0019 Å |
| α | 90° |
| β | 103.842 ± 0.004° |
| γ | 90° |
| Cell volume | 3026.5 ± 0.6 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.1713 |
| Residual factor for significantly intense reflections | 0.0998 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265601 (current) | 2021-05-29 | cif/ Adding structures of 1562966 via cif-deposit CGI script. |
1562966.cif |
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Users of the data should acknowledge the original authors of the
structural data.