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Information card for entry 1503338
Preview
| Coordinates | 1503338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,5-dimethyl-3,6-dioxa-1,2-disila-1,1,2,2-tetraphenylcyclohexane |
|---|---|
| Formula | C28 H28 O2 Si2 |
| Calculated formula | C28 H28 O2 Si2 |
| SMILES | [Si]1([Si](OC(C(O1)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Silane-controlled diastereoselectivity in the tris(pentafluorophenyl)borane-catalyzed reduction of alpha-diketones to silyl-protected 1,2-Diols. |
| Authors of publication | Skjel, Miranda K.; Houghton, Adrian Y.; Kirby, Andrea E.; Harrison, Daniel J.; McDonald, Robert; Rosenberg, Lisa |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 376 - 379 |
| a | 9.14 ± 0.002 Å |
| b | 10.032 ± 0.003 Å |
| c | 15.034 ± 0.004 Å |
| α | 111.523 ± 0.004° |
| β | 104.962 ± 0.004° |
| γ | 95.676 ± 0.004° |
| Cell volume | 1209.8 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1503338.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503338.cif |
| 37213 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503338 via cif-deposit CGI script. |
1503338.cif |
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Users of the data should acknowledge the original authors of the
structural data.