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Information card for entry 1505943
Preview
| Coordinates | 1505943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H34 Br2 O5 Si |
|---|---|
| Calculated formula | C29 H34 Br2 O5 Si |
| SMILES | Brc1ccc(cc1)C(=O)OC[C@@H]1[C@@](COC(=O)c2ccc(Br)cc2)(/C=C\C=C\O[Si](C)(C(C)(C)C)C)C1.Brc1ccc(cc1)C(=O)OC[C@H]1[C@](COC(=O)c2ccc(Br)cc2)(/C=C\C=C\O[Si](C)(C(C)(C)C)C)C1 |
| Title of publication | Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives. |
| Authors of publication | Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 1889 - 1891 |
| a | 11.4155 ± 0.0016 Å |
| b | 20.035 ± 0.003 Å |
| c | 25.895 ± 0.004 Å |
| α | 90° |
| β | 93.774 ± 0.003° |
| γ | 90° |
| Cell volume | 5909.6 ± 1.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2047 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1505943.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
1505943.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505943.cif |
| 47873 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505943 via cif-deposit CGI script. |
1505943.cif |
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Users of the data should acknowledge the original authors of the
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