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Information card for entry 7150783
Preview
| Coordinates | 7150783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H6 Cl I N2 S |
|---|---|
| Calculated formula | C12 H6 Cl I N2 S |
| SMILES | Ic1cc2c(s1)c(nc(n2)c1ccccc1)Cl |
| Title of publication | Direct metallation of thienopyrimidines using a mixed lithium‒cadmium base and antitumor activity of functionalized derivatives |
| Authors of publication | Snégaroff, Katia; Lassagne, Frédéric; Bentabed-Ababsa, Ghenia; Nassar, Ekhlass; Ely, Sidaty Cheikh Sid; Hesse, Stéphanie; Perspicace, Enrico; Derdour, Aïcha; Mongin, Florence |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 4782 |
| a | 5.8116 ± 0.0002 Å |
| b | 16.782 ± 0.0006 Å |
| c | 24.6525 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2404.37 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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 |
|---|---|---|---|
| 202017 (current) | 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. |
7150783.cif |
| 180293 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150783.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150783.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150783.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150783.cif |
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