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Information card for entry 4506971
Preview
| Coordinates | 4506971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hexagram-Type Topology Lamivudine Duplex |
|---|---|
| Chemical name | lamivudine 0.67-hydrate |
| Formula | C24 H37 N9 O11 S3 |
| Calculated formula | C24 H37 N9 O11 S3 |
| Title of publication | Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology |
| Authors of publication | Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 5138 |
| a | 14.55 ± 0.001 Å |
| b | 14.55 ± 0.001 Å |
| c | 29.538 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5415.5 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 172 |
| Hermann-Mauguin space group symbol | P 64 |
| Hall space group symbol | P 64 |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.2395 |
| Weighted residual factors for all reflections included in the refinement | 0.2677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179605 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69. |
4506971.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4506971.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506971.cif |
| 71907 | 2013-01-21 | cif/ Adding structures of 4506971, 4506972 via cif-deposit CGI script. |
4506971.cif |
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Users of the data should acknowledge the original authors of the
structural data.