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Information card for entry 1559975
Preview
| Coordinates | 1559975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 B N O3 |
|---|---|
| Calculated formula | C20 H14 B N O3 |
| SMILES | O1C(=O)c2c([N]3=Cc4c(O[B]13c1ccccc1)cccc4)cccc2 |
| Title of publication | Multicomponent Synthesis of Luminescent Iminoboronates. |
| Authors of publication | Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S. |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2020 |
| Journal volume | 25 |
| Journal issue | 24 |
| Pages of publication | 6039 |
| a | 28.3 ± 0.002 Å |
| b | 7.6129 ± 0.0007 Å |
| c | 17.6359 ± 0.0014 Å |
| α | 90° |
| β | 121.819 ± 0.004° |
| γ | 90° |
| Cell volume | 3228.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260833 (current) | 2021-01-07 | cif/ Adding structures of 1559975 via cif-deposit CGI script. |
1559975.cif |
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Users of the data should acknowledge the original authors of the
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