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Information card for entry 4508163
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Coordinates | 4508163.cif |
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Original paper (by DOI) | HTML |
Common name | oxalate of 5-FC |
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Formula | C5 H5 F N3 O3 |
Calculated formula | C5 H5 F N3 O3 |
Title of publication | The Continuum in 5-Fluorocytosine. Toward Salt Formation |
Authors of publication | da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 10 |
Pages of publication | 4315 |
a | 5.261 ± 0.0002 Å |
b | 15.197 ± 0.0006 Å |
c | 7.884 ± 0.0003 Å |
α | 90° |
β | 92.206 ± 0.003° |
γ | 90° |
Cell volume | 629.87 ± 0.04 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0648 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179617 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81. |
4508163.cif |
107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4508163.cif |
88869 | 2013-10-09 | cif/ Adding structures of 4508162, 4508163, 4508164 via cif-deposit CGI script. |
4508163.cif |
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Users of the data should acknowledge the original authors of the
structural data.