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Information card for entry 4029733
Preview
| Coordinates | 4029733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 O2 Si2 |
|---|---|
| Calculated formula | C18 H22 O2 Si2 |
| SMILES | [Si]1(O[C@H]2[C@H](O[Si](C)(C)c3ccccc23)c2c1cccc2)(C)C |
| Title of publication | Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis. |
| Authors of publication | Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert |
| Journal of publication | Beilstein journal of organic chemistry |
| Year of publication | 2011 |
| Journal volume | 7 |
| Pages of publication | 1315 - 1322 |
| a | 8.855 ± 0.004 Å |
| b | 28.605 ± 0.014 Å |
| c | 11.19 ± 0.005 Å |
| α | 90° |
| β | 96.194 ± 0.007° |
| γ | 90° |
| Cell volume | 2818 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.17 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for all reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.0267 |
| Weighted residual factors for all reflections included in the refinement | 0.0267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178476 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97. |
4029733.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4029733.cif |
| 120258 | 2014-07-14 | cif/ Adding structures of 4029732, 4029733 via cif-deposit CGI script. |
4029733.cif |
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Users of the data should acknowledge the original authors of the
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