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Information card for entry 7228454
Preview
| Coordinates | 7228454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cytosine/5-flucytosine solid solution I |
|---|---|
| Chemical name | 4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one |
| Formula | C4 H4.393 F0.607 N3 O |
| Calculated formula | C4 H4.393 F0.607 N3 O |
| Title of publication | Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine |
| Authors of publication | Braun, Doris Elfriede; Griesser, Ulrich J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 6.67372 ± 0.00005 Å |
| b | 6.67372 ± 0.00005 Å |
| c | 23.629 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1052.4 ± 0.017 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 |
| Goodness-of-fit parameter for all reflections | 1.983 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197754 (current) | 2017-06-13 | cif/ Adding structures of 7228454 via cif-deposit CGI script. |
7228454.cif |
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