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Information card for entry 7228455
Preview
| Coordinates | 7228455.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 H4.359 F0.641 N3 O |
| Calculated formula | C4 H4.359 F0.641 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 | 4.00808 ± 0.00009 Å |
| b | 9.43931 ± 0.00011 Å |
| c | 13.0306 ± 0.0002 Å |
| α | 90° |
| β | 91.179 ± 0.002° |
| γ | 90° |
| Cell volume | 492.889 ± 0.015 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Goodness-of-fit parameter for all reflections | 1.798 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197755 (current) | 2017-06-13 | cif/ Adding structures of 7228455 via cif-deposit CGI script. |
7228455.cif |
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