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Information card for entry 1518047
Preview
| Coordinates | 1518047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H20 Cl F2 N3 O5 |
|---|---|
| Calculated formula | C12 H20 Cl F2 N3 O5 |
| SMILES | [Cl-].FC1(F)[C@H](O[C@@H]([C@@]1(C)CO)CO)n1c(=O)[nH+]c(cc1)N.OC |
| Title of publication | Dual-face nucleoside scaffold featuring a stereogenic all-carbon quaternary center. Intramolecular silicon tethered group-transfer reaction. |
| Authors of publication | Tambutet, Guillaume; Becerril-Jiménez, Fabiola; Dostie, Starr; Simard, Ryan; Prévost, Michel; Mochirian, Philippe; Guindon, Yvan |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 5698 - 5701 |
| a | 6.1577 ± 0.0001 Å |
| b | 16.993 ± 0.0003 Å |
| c | 7.443 ± 0.0001 Å |
| α | 90° |
| β | 91.874 ± 0.001° |
| γ | 90° |
| Cell volume | 778.4 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.023 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518047.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518047.cif |
| 127262 | 2014-11-12 | cif/ Updating files of 1518047 Original log message: Adding full bibliography for 1518047.cif. |
1518047.cif |
| 125521 | 2014-10-17 | cif/ Adding structures of 1518047 via cif-deposit CGI script. |
1518047.cif |
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