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Information card for entry 7126970
Preview
| Coordinates | 7126970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H34 B2 Cl2 N4 |
|---|---|
| Calculated formula | C17 H34 B2 Cl2 N4 |
| SMILES | Cl[B]1(Cl)[N](=C(N(C2CCCCC2)B1N(C)C)N(C)C)C1CCCCC1 |
| Title of publication | Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4). |
| Authors of publication | Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 68 |
| Pages of publication | 9807 - 9810 |
| a | 9.1674 ± 0.0007 Å |
| b | 10.6202 ± 0.0009 Å |
| c | 22.2091 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2162.3 ± 0.3 Å3 |
| Cell temperature | 294.41 ± 0.1 K |
| Ambient diffraction temperature | 294.41 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126970.cif |
| 256010 | 2020-09-06 | cif/ Updating files of 7126970, 7126971, 7126972 Original log message: Adding full bibliography for 7126970--7126972.cif. |
7126970.cif |
| 254562 | 2020-07-25 | cif/ Adding structures of 7126970, 7126971 via cif-deposit CGI script. |
7126970.cif |
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Users of the data should acknowledge the original authors of the
structural data.