Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118317
Preview
| Coordinates | 7118317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N6 O2 |
|---|---|
| Calculated formula | C11 H12 N6 O2 |
| Title of publication | The topochemical synthesis of triazole-linked homobasic DNA. |
| Authors of publication | Pathigoolla, Atchutarao; Sureshan, Kana M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 886 - 888 |
| a | 7 ± 0.0007 Å |
| b | 7.1645 ± 0.0008 Å |
| c | 13.4574 ± 0.0016 Å |
| α | 94.095 ± 0.004° |
| β | 93.302 ± 0.004° |
| γ | 105.223 ± 0.004° |
| Cell volume | 647.52 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 173522 (current) | 2016-01-06 | cif/ Adding structures of 7118317 via cif-deposit CGI script. |
7118317.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.