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Information card for entry 7159712
Preview
| Coordinates | 7159712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 N O3 S |
|---|---|
| Calculated formula | C23 H19 N O3 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1CC#CCOc2ccccc2c2ccccc12 |
| Title of publication | Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes. |
| Authors of publication | Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 3 |
| Pages of publication | 590 - 605 |
| a | 15.14881 ± 0.00014 Å |
| b | 8.79337 ± 0.00007 Å |
| c | 15.81288 ± 0.00019 Å |
| α | 90° |
| β | 112.272 ± 0.0012° |
| γ | 90° |
| Cell volume | 1949.27 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 289636 (current) | 2024-02-04 | cif/ Updating files of 7159712, 7159713, 7159714, 7159715 Original log message: Adding full bibliography for 7159712--7159715.cif. |
7159712.cif |
| 288299 | 2023-12-14 | cif/ Adding structures of 7159712, 7159713, 7159714, 7159715 via cif-deposit CGI script. |
7159712.cif |
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Users of the data should acknowledge the original authors of the
structural data.