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Information card for entry 1547363
Preview
| Coordinates | 1547363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 N2 O5 |
|---|---|
| Calculated formula | C24 H24 N2 O5 |
| SMILES | O=C1N[C@@H](CC=CC[C@@H]1NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)OC |
| Title of publication | Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. |
| Authors of publication | Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 19 |
| Pages of publication | 5066 - 5069 |
| a | 4.8466 ± 0.0001 Å |
| b | 11.7928 ± 0.0003 Å |
| c | 18.3146 ± 0.0005 Å |
| α | 90° |
| β | 96.5347 ± 0.0015° |
| γ | 90° |
| Cell volume | 1039.97 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547363.cif |
| 202814 | 2017-11-07 | cif/ Updating files of 1547358, 1547359, 1547360, 1547361, 1547362, 1547363, 1547364 Original log message: Adding full bibliography for 1547358--1547364.cif. |
1547363.cif |
| 201322 | 2017-09-27 | cif/ Adding structures of 1547363 via cif-deposit CGI script. |
1547363.cif |
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Users of the data should acknowledge the original authors of the
structural data.