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Information card for entry 4087933
Preview
| Coordinates | 4087933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 B10 Cu F9 N2 O4 |
|---|---|
| Calculated formula | C21 H19 B10 Cu F9 N2 O4 |
| Title of publication | Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides |
| Authors of publication | Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 21 |
| Pages of publication | 5285 |
| a | 11.9262 ± 0.0004 Å |
| b | 19.0285 ± 0.0004 Å |
| c | 12.8975 ± 0.0003 Å |
| α | 90° |
| β | 90.309 ± 0.003° |
| γ | 90° |
| Cell volume | 2926.89 ± 0.13 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237133 (current) | 2019-11-24 | cif/ Adding structures of 4087931, 4087932, 4087933 via cif-deposit CGI script. |
4087933.cif |
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Users of the data should acknowledge the original authors of the
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