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Information card for entry 4513734
Preview
| Coordinates | 4513734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H21 N2 O9 P S |
|---|---|
| Calculated formula | C20 H21 N2 O9 P S |
| SMILES | S(/C=C(OP(=O)(OCC)OCC)/c1ccc(N(=O)=O)cc1)CC(=O)c1ccc(N(=O)=O)cc1 |
| Title of publication | Postsynthetic Modification of DNA Phosphodiester Backbone for Photocaged DNAzyme. |
| Authors of publication | Wang, Xiaoyan; Feng, Mengli; Xiao, Lu; Tong, Aijun; Xiang, Yu |
| Journal of publication | ACS chemical biology |
| Year of publication | 2016 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 444 - 451 |
| a | 8.5482 ± 0.0017 Å |
| b | 11.007 ± 0.002 Å |
| c | 12.743 ± 0.003 Å |
| α | 73.48 ± 0.03° |
| β | 82.03 ± 0.03° |
| γ | 83.95 ± 0.03° |
| Cell volume | 1135.6 ± 0.4 Å3 |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.1855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1656 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513734.cif |
| 177377 | 2016-03-04 | cif/ Updating files of 4513734 Original log message: Adding full bibliography for 4513734.cif. |
4513734.cif |
| 171773 | 2016-01-01 | cif/ Adding structures of 4513734 via cif-deposit CGI script. |
4513734.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.