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Information card for entry 2019141
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| Coordinates | 2019141.cif |
|---|---|
| Structure factors | 2019141.hkl |
| Original IUCr paper | HTML |
| Common name | tricyclic acyclovir |
|---|---|
| Chemical name | 3-[(2-Hydroxyethoxy)methyl]-6-methyl-6<i>H</i>-imidazol[1,2-<i>a</i>]purin-9(5<i>H</i>)-one |
| Formula | C11 H17 N5 O5 |
| Calculated formula | C11 H17 N5 O5 |
| Title of publication | Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model |
| Authors of publication | Meepripruk, Montha; Haller, Kenneth J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 1077 - 1080 |
| a | 8.45 ± 0.001 Å |
| b | 11.665 ± 0.002 Å |
| c | 14.93 ± 0.003 Å |
| α | 75.44 ± 0.02° |
| β | 76.65 ± 0.02° |
| γ | 86.44 ± 0.02° |
| Cell volume | 1385.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019141.cif 2019141.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019141.cif 2019141.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019141.cif 2019141.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019141.cif 2019141.hkl |
| 88693 | 2013-10-02 | cif/ Adding structures of 2019141 via cif-deposit CGI script. |
2019141.cif |
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Users of the data should acknowledge the original authors of the
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