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Information card for entry 1540604
Preview
| Coordinates | 1540604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 B N4 |
|---|---|
| Calculated formula | C15 H13 B N4 |
| SMILES | n12cc(cc2cccc1)B1NN=C(N1)c1ccccc1 |
| Title of publication | Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. |
| Authors of publication | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5594 - 5597 |
| a | 10.6778 ± 0.0003 Å |
| b | 8.9179 ± 0.0002 Å |
| c | 27.039 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2574.75 ± 0.11 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170754 (current) | 2015-12-06 | cif/ Adding structures of 1540604 via cif-deposit CGI script. |
1540604.cif |
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