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Information card for entry 1520699
Preview
Coordinates | 1520699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 N2 O |
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Calculated formula | C42 H34 N2 O |
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 | 7.8222 ± 0.0003 Å |
b | 19.2845 ± 0.0006 Å |
c | 21.7791 ± 0.0008 Å |
α | 90° |
β | 100.329 ± 0.002° |
γ | 90° |
Cell volume | 3232.1 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0581 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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. |
1520699.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. |
1520699.cif |
139790 | 2015-06-30 | cif/ Adding structures of 1520695, 1520696, 1520697, 1520698, 1520699, 1520700 via cif-deposit CGI script. |
1520699.cif |
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Users of the data should acknowledge the original authors of the
structural data.