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Information card for entry 4125382
Preview
| Coordinates | 4125382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H33 B Cl2 F10 N2 O2 |
|---|---|
| Calculated formula | C48 H33 B Cl2 F10 N2 O2 |
| Title of publication | Reactions of Boron-Derived Radicals with Nucleophiles. |
| Authors of publication | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 1 |
| Pages of publication | 426 - 435 |
| a | 14.349 ± 0.002 Å |
| b | 14.6217 ± 0.0018 Å |
| c | 21.734 ± 0.003 Å |
| α | 90° |
| β | 103.312 ± 0.007° |
| γ | 90° |
| Cell volume | 4437.4 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1071 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125382.cif |
| 193473 | 2017-03-04 | cif/ Updating files of 4125374, 4125375, 4125376, 4125377, 4125378, 4125379, 4125380, 4125381, 4125382, 4125383, 4125384, 4125385 Original log message: Adding full bibliography for 4125374--4125385.cif. |
4125382.cif |
| 189611 | 2017-01-01 | cif/ Adding structures of 4125382 via cif-deposit CGI script. |
4125382.cif |
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Users of the data should acknowledge the original authors of the
structural data.