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Information card for entry 1548439
Preview
| Coordinates | 1548439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H59 B2 N3 O4 |
|---|---|
| Calculated formula | C49 H59 B2 N3 O4 |
| SMILES | O=C(OC)c1ccc(nc1)C(=C\N(c1c(cccc1C)C)B(c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)/N(c1c(C)cccc1C)B1OC(C)(C(O1)(C)C)C |
| Title of publication | Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. |
| Authors of publication | Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 1301 - 1310 |
| a | 8.034 ± 0.003 Å |
| b | 10.856 ± 0.004 Å |
| c | 26.173 ± 0.01 Å |
| α | 97.069 ± 0.005° |
| β | 97.132 ± 0.008° |
| γ | 102.212 ± 0.009° |
| Cell volume | 2187.4 ± 1.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1616 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228695 (current) | 2019-11-17 | cif/ Updating files of 1548427, 1548428, 1548429, 1548430, 1548431, 1548432, 1548433, 1548434, 1548435, 1548436, 1548437, 1548438, 1548439, 1548440, 1548441, 1548442, 1548443, 1548444, 1548445 Original log message: Adding full bibliography for 1548427--1548445.cif. |
1548439.cif |
| 204172 | 2017-12-12 | cif/ Adding structures of 1548427, 1548428, 1548429, 1548430, 1548431, 1548432, 1548433, 1548434, 1548435, 1548436, 1548437, 1548438, 1548439, 1548440, 1548441, 1548442, 1548443, 1548444, 1548445 via cif-deposit CGI script. |
1548439.cif |
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Users of the data should acknowledge the original authors of the
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