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Information card for entry 4512227
Preview
| Coordinates | 4512227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H62 N4 O36 |
|---|---|
| Calculated formula | C50 H62 N4 O36 |
| SMILES | C(=O)(c1ncn([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)n1)N.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.O.O.O.O.O.O.O |
| Title of publication | Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates |
| Authors of publication | Chen, Jia-Mei; Li, Song; Lu, Tong-Bu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6399 |
| a | 9.44471 ± 0.00017 Å |
| b | 10.38896 ± 0.00019 Å |
| c | 15.6489 ± 0.0003 Å |
| α | 77.4892 ± 0.0015° |
| β | 72.8378 ± 0.0016° |
| γ | 77.6285 ± 0.0016° |
| Cell volume | 1413.55 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4512227.cif |
| 179669 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22. |
4512227.cif |
| 131350 | 2015-02-07 | cif/ Updating files of 4512227, 4512228, 4512229 Original log message: Adding full bibliography for 4512227--4512229.cif. |
4512227.cif |
| 126142 | 2014-11-01 | cif/ Adding structures of 4512227, 4512228, 4512229 via cif-deposit CGI script. |
4512227.cif |
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