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Information card for entry 4133922
Preview
| Coordinates | 4133922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H26 B N O3 |
|---|---|
| Calculated formula | C22 H26 B N O3 |
| SMILES | O1C(C(OB1c1ccc(cc1)CC(=O)N1c2c(cccc2)CC1)(C)C)(C)C |
| Title of publication | Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. |
| Authors of publication | Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 3 |
| Pages of publication | 1603 - 1613 |
| a | 9.1074 ± 0.0006 Å |
| b | 10.4748 ± 0.0006 Å |
| c | 11.1129 ± 0.0007 Å |
| α | 90.07 ± 0.005° |
| β | 103.031 ± 0.005° |
| γ | 112.623 ± 0.006° |
| Cell volume | 948.81 ± 0.11 Å3 |
| Cell temperature | 97 ± 2 K |
| Ambient diffraction temperature | 97 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4133922.cif |
| 247535 | 2020-02-04 | cif/ Updating files of 4133912, 4133913, 4133914, 4133915, 4133916, 4133917, 4133918, 4133919, 4133920, 4133921, 4133922, 4133923, 4133924, 4133925, 4133926, 4133927, 4133928, 4133929, 4133930, 4133931, 4133932, 4133933 Original log message: Adding full bibliography for 4133912--4133933.cif. |
4133922.cif |
| 246690 | 2020-01-11 | cif/ Adding structures of 4133922 via cif-deposit CGI script. |
4133922.cif |
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Users of the data should acknowledge the original authors of the
structural data.