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Information card for entry 7036775
Preview
| Coordinates | 7036775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H28 F6 O0.5 P2 |
|---|---|
| Calculated formula | C33.5 H28 F6 O0.5 P2 |
| Title of publication | Mechanistic features of the copper-free Sonogashira reaction from ESI-MS. |
| Authors of publication | Ahmadi, Zohrab; Yunker, Lars P. E.; Oliver, Allen G.; McIndoe, J. Scott |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 47 |
| Pages of publication | 20367 - 20375 |
| a | 9.782 ± 0.0012 Å |
| b | 15.0655 ± 0.0019 Å |
| c | 20.388 ± 0.003 Å |
| α | 90° |
| β | 99.581 ± 0.002° |
| γ | 90° |
| Cell volume | 2962.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036775.cif |
| 176428 | 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. |
7036775.cif |
| 171235 | 2015-12-09 | cif/ Updating files of 7036775 Original log message: Adding full bibliography for 7036775.cif. |
7036775.cif |
| 160978 | 2015-10-08 | cif/ Adding structures of 7036775 via cif-deposit CGI script. |
7036775.cif |
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Users of the data should acknowledge the original authors of the
structural data.