Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1529301
Preview
| Coordinates | 1529301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H18 N3 O3 |
|---|---|
| Calculated formula | C13 H18 N3 O3 |
| Title of publication | Small molecule antagonists of cell-surface heparan sulfate and heparin–protein interactions |
| Authors of publication | Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5984 |
| a | 6.2877 ± 0.0007 Å |
| b | 8.8655 ± 0.0009 Å |
| c | 12.0399 ± 0.0013 Å |
| α | 102.993 ± 0.005° |
| β | 91.548 ± 0.006° |
| γ | 92.63 ± 0.006° |
| Cell volume | 652.79 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529301.cif |
| 170938 | 2015-12-09 | cif/ Updating files of 1529300, 1529301, 1529302, 1529303 Original log message: Adding full bibliography for 1529300--1529303.cif. |
1529301.cif |
| 152627 | 2015-07-30 | cif/ Adding structures of 1529300, 1529301, 1529302, 1529303 via cif-deposit CGI script. |
1529301.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.