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Information card for entry 1570816
Preview
| Coordinates | 1570816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H37 B Cl2 F15 N O2 |
|---|---|
| Calculated formula | C43 H37 B Cl2 F15 N O2 |
| Title of publication | Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. |
| Authors of publication | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 3165 - 3173 |
| a | 32.364 ± 0.007 Å |
| b | 11.022 ± 0.002 Å |
| c | 23.039 ± 0.005 Å |
| α | 90° |
| β | 93.043 ± 0.01° |
| γ | 90° |
| Cell volume | 8207 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290133 (current) | 2024-03-04 | cif/ Updating files of 1570813, 1570814, 1570815, 1570816 Original log message: Adding full bibliography for 1570813--1570816.cif. |
1570816.cif |
| 289176 | 2024-01-21 | cif/ Adding structures of 1570813, 1570814, 1570815, 1570816 via cif-deposit CGI script. |
1570816.cif |
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Users of the data should acknowledge the original authors of the
structural data.