Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4026794
Preview
Coordinates | 4026794.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 N5 O10 |
---|---|
Calculated formula | C22 H27 N5 O10 |
SMILES | O1[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1C[C@@H](NC(=O)Nc1ccc(N(=O)=O)cc1)C(=O)OC(C)(C)C |
Title of publication | Stereoselective Synthesis of Uridine-Derived Nucleosyl Amino Acids |
Authors of publication | Anatol P. Spork; Daniel Wiegmann; Markus Granitzka; Dietmar Stalke; Christian Ducho |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 10083 - 10098 |
a | 6.283 ± 0.002 Å |
b | 10.821 ± 0.002 Å |
c | 36.211 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2461.9 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0674 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1333 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
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/4026794.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.