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Information card for entry 7201477
Preview
| Coordinates | 7201477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C18 H16 F N O2 S2 |
|---|---|
| Calculated formula | C18 H16 F N O2 S2 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Cc1c(c2ccc(cc2)F)sc(C)n1 |
| Title of publication | An efficient aqueous microwave-assisted Suzuki–Miyaura cross-coupling reaction in the thiazole series |
| Authors of publication | Cohen, Anita; Crozet, Maxime D.; Rathelot, Pascal; Vanelle, Patrice |
| Journal of publication | Green Chemistry |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 1736 |
| a | 8.133 ± 0.0002 Å |
| b | 10.9315 ± 0.0003 Å |
| c | 11.3491 ± 0.0004 Å |
| α | 111.001 ± 0.001° |
| β | 103.328 ± 0.002° |
| γ | 103.603 ± 0.003° |
| Cell volume | 858.68 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1008 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.2084 |
| Weighted residual factors for all reflections included in the refinement | 0.2201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7201477.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7201477.cif |
| 180345 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/14. |
7201477.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201477.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201477.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7201477.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201477.cif |
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Users of the data should acknowledge the original authors of the
structural data.