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Information card for entry 7159375
Preview
| Coordinates | 7159375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H40 N2 O9 |
|---|---|
| Calculated formula | C35 H40 N2 O9 |
| SMILES | N1([C@H](N([C@H](C1(C(=O)OCC)C(=O)OCC)c1ccc(cc1)OC)Cc1ccccc1)c1ccc(cc1)OC)C(=O)CC(=O)OCC.N1([C@@H](N([C@@H](C1(C(=O)OCC)C(=O)OCC)c1ccc(cc1)OC)Cc1ccccc1)c1ccc(cc1)OC)C(=O)CC(=O)OCC |
| Title of publication | Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity. |
| Authors of publication | Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 23 |
| Pages of publication | 4801 - 4809 |
| a | 9.7028 ± 0.0003 Å |
| b | 10.3166 ± 0.0002 Å |
| c | 17.6915 ± 0.0004 Å |
| α | 78.751 ± 0.002° |
| β | 76.109 ± 0.002° |
| γ | 69.254 ± 0.002° |
| Cell volume | 1595.8 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for all reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9937 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284974 (current) | 2023-07-05 | cif/ Updating files of 7159369, 7159370, 7159371, 7159372, 7159373, 7159374, 7159375, 7159376, 7159377, 7159378, 7159379, 7159380, 7159381 Original log message: Adding full bibliography for 7159369--7159381.cif. |
7159375.cif |
| 284035 | 2023-05-27 | cif/ Adding structures of 7159369, 7159370, 7159371, 7159372, 7159373, 7159374, 7159375, 7159376, 7159377, 7159378, 7159379, 7159380, 7159381 via cif-deposit CGI script. |
7159375.cif |
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Users of the data should acknowledge the original authors of the
structural data.