Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125449
Preview
Coordinates | 4125449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 Br3 N O9 |
---|---|
Calculated formula | C30 H24 Br3 N O9 |
SMILES | Brc1ccc(C(=O)OC[C@@]23[C@@H]([C@@H]([C@H]([C@H](O3)OC2)NC(=O)C)OC(=O)c2ccc(Br)cc2)OC(=O)c2ccc(Br)cc2)cc1 |
Title of publication | Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor. |
Authors of publication | Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 9 |
Pages of publication | 3528 - 3536 |
a | 12.5748 ± 0.0009 Å |
b | 5.6465 ± 0.0004 Å |
c | 21.2806 ± 0.0016 Å |
α | 90° |
β | 97.453 ± 0.004° |
γ | 90° |
Cell volume | 1498.23 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0589 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1658 |
Weighted residual factors for all reflections included in the refinement | 0.1701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4125449.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.