Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226948
Preview
| Coordinates | 7226948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H50 O6 |
|---|---|
| Calculated formula | C44 H50 O6 |
| SMILES | O(Cc1ccccc1)[C@@H]1[C@H](O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OC12CC3CC(C1)CC(C3)C2 |
| Title of publication | Iron(III) Chloride Modulated Selective 1,2-trans Glycosylation Based on Glycosyl Trichloroacetimidate Donors and its Application in Orthogonal Glycosylation |
| Authors of publication | Mukherjee, Mana Mohan; Basu, Nabamita; Ghosh, Rina |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.4392 ± 0.0003 Å |
| b | 12.6456 ± 0.0005 Å |
| c | 31.178 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3721.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1034 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187618 (current) | 2016-10-27 | cif/ Adding structures of 7226948 via cif-deposit CGI script. |
7226948.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.