Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506775
Preview
| Coordinates | 1506775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H60 O Si3 |
|---|---|
| Calculated formula | C27 H59 O Si3 |
| SMILES | [Si](O[Si](C)(C)C(C)(C)C)([C@H](C[SiH](C(C)(C)C)C(C)(C)C)C(=C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Metal-catalyzed rearrangement of homoallylic ethers to silylmethyl allylic silanes in the presence of a Di-tert-butylsilylene source. |
| Authors of publication | Cleary, Pamela A.; Woerpel, K. A. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 24 |
| Pages of publication | 5531 - 5533 |
| a | 9.2671 ± 0.0013 Å |
| b | 14.343 ± 0.002 Å |
| c | 12.2312 ± 0.0017 Å |
| α | 90° |
| β | 95.604 ± 0.002° |
| γ | 90° |
| Cell volume | 1618 ± 0.4 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 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 | 0.1215 |
| Residual factor for significantly intense reflections | 0.1043 |
| Weighted residual factors for significantly intense reflections | 0.2569 |
| Weighted residual factors for all reflections included in the refinement | 0.2778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| 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. |
1506775.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1506775.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506775.cif |
| 50582 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506775 via cif-deposit CGI script. |
1506775.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.