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Information card for entry 1548299
Preview
| Coordinates | 1548299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H43 B2 N O2 |
|---|---|
| Calculated formula | C29 H43 B2 N O2 |
| SMILES | O1C(C)(C(OB1N(C(C)(C)C)B1C(c2c(cc(cc2C)C)C1)c1c(cc(cc1C)C)C)(C)C)C |
| Title of publication | Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent |
| Authors of publication | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita |
| Journal of publication | Nature Communications |
| Year of publication | 2014 |
| Journal volume | 5 |
| Pages of publication | 4245 |
| a | 9.278 ± 0.003 Å |
| b | 10.2 ± 0.003 Å |
| c | 16.057 ± 0.005 Å |
| α | 71.907 ± 0.012° |
| β | 83.574 ± 0.015° |
| γ | 68.113 ± 0.012° |
| Cell volume | 1340.3 ± 0.7 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 | 0.0976 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203761 (current) | 2017-11-29 | cif/ Adding structures of 1548299 via cif-deposit CGI script. |
1548299.cif |
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Users of the data should acknowledge the original authors of the
structural data.