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Information card for entry 2240112
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| Coordinates | 2240112.cif |
|---|---|
| Structure factors | 2240112.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate |
|---|---|
| Formula | C11 H19 N7 O7.5 P |
| Calculated formula | C11 H19 N7 O7.5 P |
| Title of publication | Crystal structure of ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate: an anti-HIV agent |
| Authors of publication | Jasko, Maxim V.; Gurskaya, Galina V.; Kukhanova, Marina K.; Bushmarinov, Ivan S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 396 - 399 |
| a | 18.5564 ± 0.0006 Å |
| b | 18.5564 ± 0.0006 Å |
| c | 10.1139 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3482.6 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240112.cif 2240112.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240112.cif 2240112.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2240112.cif 2240112.hkl |
| 125894 | 2014-10-26 | cif/ hkl/ Adding structures of 2240112 via cif-deposit CGI script. |
2240112.cif 2240112.hkl |
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Users of the data should acknowledge the original authors of the
structural data.