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Information card for entry 7124072
Preview
| Coordinates | 7124072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H24 Cl N3 O4 |
|---|---|
| Calculated formula | C27 H24 Cl N3 O4 |
| Title of publication | Organocatalytic Diastereoselective [3+2] Cyclization of MBH Carbonates with Dinucleophiles: Synthesis of Bicyclic Imidazoline Derivatives that Inhibit MDM2-p53 Interaction |
| Authors of publication | Zhu, Hong-Ping; Xie, Ke; He, Xiang-Hong; Huang, Wei; Zeng, Rong; Fan, Yang; Peng, Cheng; He, Gu; Han, Bo |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.62565 ± 0.00016 Å |
| b | 10.62565 ± 0.00016 Å |
| c | 43.3437 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4893.7 ± 0.2 Å3 |
| Cell temperature | 293.9 ± 0.3 K |
| Ambient diffraction temperature | 293.9 ± 0.3 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.1743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7124072.cif |
| 217798 | 2019-08-29 | cif/ Adding structures of 7124072 via cif-deposit CGI script. |
7124072.cif |
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Users of the data should acknowledge the original authors of the
structural data.