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Information card for entry 7709317
Preview
| Coordinates | 7709317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 B4 Br2 F6 N8 O |
|---|---|
| Calculated formula | C22 H18 B4 Br2 F6 N8 O |
| SMILES | Brc1c(n2c(c1C)C=[N]1N3c4[n](c5c([n]6c4N4[N](=Cc7n(c(c(Br)c7C)C)[B@]4(F)O[B@]23F)[B]6(F)F)cccc5)[B]1(F)F)C |
| Title of publication | Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines. |
| Authors of publication | Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 3051 - 3059 |
| a | 9.2437 ± 0.0008 Å |
| b | 12.7062 ± 0.001 Å |
| c | 13.7867 ± 0.001 Å |
| α | 107.288 ± 0.002° |
| β | 98.865 ± 0.003° |
| γ | 96.501 ± 0.003° |
| Cell volume | 1505.8 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273363 (current) | 2022-03-05 | cif/ Updating files of 7709314, 7709315, 7709316, 7709317 Original log message: Adding full bibliography for 7709314--7709317.cif. |
7709317.cif |
| 272116 | 2022-01-19 | cif/ Adding structures of 7709314, 7709315, 7709316, 7709317 via cif-deposit CGI script. |
7709317.cif |
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