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Information card for entry 4104647
Preview
| Coordinates | 4104647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H34 O4 S Si |
|---|---|
| Calculated formula | C21 H34 O4 S Si |
| SMILES | S(=O)(=O)(C1=C[C@@H](O)[C@H]([C@@H](O[Si](C(C)(C)C)(C)C)C[C@@H]1C)C)c1ccccc1 |
| Title of publication | Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones |
| Authors of publication | Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9150 - 9151 |
| a | 10.4714 ± 0.0009 Å |
| b | 8.9475 ± 0.0006 Å |
| c | 13.4056 ± 0.0016 Å |
| α | 90° |
| β | 111.345 ± 0.005° |
| γ | 90° |
| Cell volume | 1169.85 ± 0.19 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MO-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
4104647.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4104647.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104647.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104647.cif |
| 29673 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104647 via cif-deposit CGI script. |
4104647.cif |
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Users of the data should acknowledge the original authors of the
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