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Information card for entry 1519627
Preview
| Coordinates | 1519627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 B N |
|---|---|
| Calculated formula | C38 H34 B N |
| SMILES | B(c1c(c2cc3n4c(c5c3cccc5)cccc24)cccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions. |
| Authors of publication | Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2486 - 2489 |
| a | 8.8087 ± 0.0005 Å |
| b | 11.1753 ± 0.0006 Å |
| c | 16.1219 ± 0.0009 Å |
| α | 72.148 ± 0.004° |
| β | 78.052 ± 0.004° |
| γ | 74.662 ± 0.004° |
| Cell volume | 1443.04 ± 0.14 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.1254 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519627.cif |
| 154779 | 2015-09-06 | cif/ Updating files of 1519625, 1519626, 1519627 Original log message: Adding full bibliography for 1519625--1519627.cif. |
1519627.cif |
| 136350 | 2015-05-13 | cif/ Adding structures of 1519625, 1519626, 1519627 via cif-deposit CGI script. |
1519627.cif |
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Users of the data should acknowledge the original authors of the
structural data.