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Information card for entry 7230546
Preview
| Coordinates | 7230546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | lamivudine sulfate |
|---|---|
| Formula | C16 H24 N6 O10 S3 |
| Calculated formula | C16 H24 N6 O10 S3 |
| Title of publication | Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon |
| Authors of publication | da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 22 |
| Pages of publication | 3049 |
| a | 6.7148 ± 0.0014 Å |
| b | 17.982 ± 0.006 Å |
| c | 19.374 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2339.3 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230546.cif |
| 228898 | 2019-11-17 | cif/ Updating files of 7230543, 7230544, 7230545, 7230546, 7230547 Original log message: Adding full bibliography for 7230543--7230547.cif. |
7230546.cif |
| 207438 | 2018-04-23 | cif/ Adding structures of 7230543, 7230544, 7230545, 7230546, 7230547 via cif-deposit CGI script. |
7230546.cif |
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Users of the data should acknowledge the original authors of the
structural data.