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Information card for entry 1520698
Preview
| Coordinates | 1520698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N O S |
|---|---|
| Calculated formula | C27 H21 N O S |
| Title of publication | RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes |
| Authors of publication | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5802 |
| a | 11.5129 ± 0.0003 Å |
| b | 21.7914 ± 0.0005 Å |
| c | 17.1772 ± 0.0005 Å |
| α | 90° |
| β | 98.718 ± 0.002° |
| γ | 90° |
| Cell volume | 4259.66 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
1520698.cif |
| 170929 | 2015-12-09 | cif/ Updating files of 1520695, 1520696, 1520697, 1520698, 1520699, 1520700 Original log message: Adding full bibliography for 1520695--1520700.cif. |
1520698.cif |
| 139790 | 2015-06-30 | cif/ Adding structures of 1520695, 1520696, 1520697, 1520698, 1520699, 1520700 via cif-deposit CGI script. |
1520698.cif |
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Users of the data should acknowledge the original authors of the
structural data.