Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152556
Preview
| Coordinates | 7152556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H61 N O6 Si2 |
|---|---|
| Calculated formula | C40 H61 N O6 Si2 |
| SMILES | [Si](OC[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](N(Cc1ccccc1)Cc1ccccc1)C)(C(C)(C)C)(C)C |
| Title of publication | Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes. |
| Authors of publication | Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 34 |
| Pages of publication | 6937 - 6944 |
| a | 7.4889 ± 0.0015 Å |
| b | 12.379 ± 0.003 Å |
| c | 45.45 ± 0.009 Å |
| α | 90° |
| β | 90.04 ± 0.03° |
| γ | 90° |
| Cell volume | 4213.4 ± 1.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2755 |
| Residual factor for significantly intense reflections | 0.1152 |
| Weighted residual factors for significantly intense reflections | 0.281 |
| Weighted residual factors for all reflections included in the refinement | 0.3674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180311 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/25. |
7152556.cif |
| 125477 | 2014-10-16 | cif/7 Fixing some Z values and formulae. |
7152556.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152556.cif |
| 66568 | 2012-09-11 | cif/ Adding structures of 7152551, 7152552, 7152553, 7152554, 7152555, 7152556 via cif-deposit CGI script. |
7152556.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.