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Information card for entry 7157284
Preview
| Coordinates | 7157284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H38 F12 N2 O10 S2 |
|---|---|
| Calculated formula | C36 H38 F12 N2 O10 S2 |
| Title of publication | Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives. |
| Authors of publication | Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 250 - 254 |
| a | 9.6208 ± 0.0002 Å |
| b | 17.3037 ± 0.0004 Å |
| c | 25.0189 ± 0.0004 Å |
| α | 90° |
| β | 94.432 ± 0.002° |
| γ | 90° |
| Cell volume | 4152.58 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1096 |
| Residual factor for significantly intense reflections | 0.0883 |
| Weighted residual factors for significantly intense reflections | 0.2357 |
| Weighted residual factors for all reflections included in the refinement | 0.2567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157284.cif |
| 247815 | 2020-02-04 | cif/ Updating files of 7157282, 7157283, 7157284, 7157285 Original log message: Adding full bibliography for 7157282--7157285.cif. |
7157284.cif |
| 246397 | 2020-01-01 | cif/ Adding structures of 7157282, 7157283, 7157284, 7157285 via cif-deposit CGI script. |
7157284.cif |
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Users of the data should acknowledge the original authors of the
structural data.