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Information card for entry 1548694
Preview
| Coordinates | 1548694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H7 N3 O2 |
|---|---|
| Calculated formula | C10 H7 N3 O2 |
| SMILES | O1c2c(Nc3ccccc13)nc(=O)[nH]c2 |
| Title of publication | Crystal structure of a DNA containing the planar, phenoxazine-derived bi-functional spectroscopic probe C |
| Authors of publication | Thomas E. Edwards; Pavol Cekan; Gunnar W. Reginsson; Sandip A. Shelke; Adrian R. Ferre-D Amare; Olav Schiemann; Snorri Th. Sigurdsson |
| Journal of publication | Nucleic Acids Research |
| Year of publication | 2011 |
| Journal volume | 39 |
| Pages of publication | 4419 - 4426 |
| a | 9.268 ± 0.007 Å |
| b | 8.872 ± 0.006 Å |
| c | 11.16 ± 0.008 Å |
| α | 90° |
| β | 112.9 ± 0.03° |
| γ | 90° |
| Cell volume | 845.3 ± 1.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1622 |
| Residual factor for significantly intense reflections | 0.0844 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205256 (current) | 2018-01-16 | cif/ Adding structures of 1548694 via cif-deposit CGI script. |
1548694.cif |
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Users of the data should acknowledge the original authors of the
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