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Information card for entry 7228456
Preview
| Coordinates | 7228456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H43 B3 O6 |
|---|---|
| Calculated formula | C26 H43 B3 O6 |
| SMILES | O1B(OC(C)(C1(C)C)C)C(C(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)c1ccccc1 |
| Title of publication | Base-Controlled Highly Selective Synthesis of Alkyl 1,2-Bis(boronates) or 1,1,2-Tris(boronates) from Terminal Alkynes |
| Authors of publication | Gao, Guoliang; Yan, Jianxiang; Yang, Kai; Chen, Fen er; Song, Qiuling |
| Journal of publication | Green Chem. |
| Year of publication | 2017 |
| a | 10.7089 ± 0.0007 Å |
| b | 11.6927 ± 0.0009 Å |
| c | 13.5483 ± 0.0011 Å |
| α | 114.506 ± 0.008° |
| β | 99.354 ± 0.006° |
| γ | 104.113 ± 0.006° |
| Cell volume | 1428.7 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1945 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0465 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197760 (current) | 2017-06-13 | cif/ Adding structures of 7228456 via cif-deposit CGI script. |
7228456.cif |
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Users of the data should acknowledge the original authors of the
structural data.