Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7150731
Preview
| Coordinates | 7150731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C36 H50 N2 O13 S |
|---|---|
| Calculated formula | C36 H50 N2 O13 S |
| SMILES | C1[C@@]23CC[C@@H](C2(C)C)C[C@H]3N(C(=O)[C@H]([C@H](C)C[C@H]2[C@@H]([C@H]([C@@H]([C@@H](COC(=O)C)O2)OC(=O)C)OC(=O)C)OC(=O)C)NOCc2ccccc2)S1(=O)=O |
| Title of publication | Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine |
| Authors of publication | Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 19 |
| Pages of publication | 3918 - 3921 |
| a | 12.629 ± 0.005 Å |
| b | 14.954 ± 0.005 Å |
| c | 20.739 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3917 ± 2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287905 (current) | 2023-11-30 | cif/ Removed the PUBLCIF_JMOLSCRIPT category loop from multiple entries. All data values in these loops were declared as unknown ('?'). |
7150731.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150731.cif |
| 180293 | 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 7/15/07. |
7150731.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150731.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150731.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150731.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.