Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547704
Preview
Coordinates | 1547704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H20 O7 S |
---|---|
Calculated formula | C27 H20 O7 S |
SMILES | S[C@@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)C |
Title of publication | Stereoselective Epimerizations of Glycosyl Thiols. |
Authors of publication | Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 21 |
Pages of publication | 5802 - 5805 |
a | 10.2354 ± 0.001 Å |
b | 14.6975 ± 0.0011 Å |
c | 16.2321 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2441.9 ± 0.4 Å3 |
Cell temperature | 299.6 ± 0.8 K |
Ambient diffraction temperature | 299.6 ± 0.8 K |
Number of distinct elements | 4 |
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 | 0.0776 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547704.html
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.