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Information card for entry 1503298
Preview
| Coordinates | 1503298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H25 O3.5 Si |
|---|---|
| Calculated formula | C17 H25 O3.5 Si |
| SMILES | [C@@]12(C(=O)OC[C@H]1[Si](C)(C)c1ccccc1)[C@](CCC2)(C)O.[C@]12(C(=O)OC[C@@H]1[Si](C)(C)c1ccccc1)[C@@](CCC2)(C)O.O |
| Title of publication | SmI~2~-mediated radical cyclizations directed by a C-Si bond |
| Authors of publication | Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J. |
| Journal of publication | Organic Letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 23 |
| Pages of publication | 5446 - 5449 |
| a | 19.902 ± 0.002 Å |
| b | 24.903 ± 0.003 Å |
| c | 6.7798 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3360.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218626 (current) | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1503297-1503299, 1516317. |
1503298.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. |
1503298.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503298.cif |
| 86280 | 2013-05-21 | smi/1 Adding SMILES in subdir 1 of truly chiral compounds. |
1503298.cif |
| 37173 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503298 via cif-deposit CGI script. |
1503298.cif |
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Users of the data should acknowledge the original authors of the
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