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Information card for entry 7241284
Preview
| Coordinates | 7241284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H29 N O3 |
|---|---|
| Calculated formula | C19 H29 N O3 |
| SMILES | O1[C@H]2[C@H]([C@@H](C1=O)CN1CCCC1)CCC(=C1[C@@H]2[C@](O)(CC1)C)C |
| Title of publication | LiCl-promoted amination of β-methoxy amides (γ-lactones) |
| Authors of publication | Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 57 |
| Pages of publication | 34938 - 34942 |
| a | 6.02107 ± 0.00003 Å |
| b | 12.63736 ± 0.00006 Å |
| c | 23.03193 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1752.51 ± 0.014 Å3 |
| Cell temperature | 170 ± 0.12 K |
| Ambient diffraction temperature | 170 ± 0.12 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241284.cif |
| 258063 | 2020-10-06 | cif/ Updating files of 7241284 Original log message: Adding full bibliography for 7241284.cif. |
7241284.cif |
| 256619 | 2020-09-22 | cif/ Adding structures of 7241284 via cif-deposit CGI script. |
7241284.cif |
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Users of the data should acknowledge the original authors of the
structural data.