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Information card for entry 2240681
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| Coordinates | 2240681.cif |
|---|---|
| Structure factors | 2240681.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-Diamino-7-(hydroxymethyl)pteridin-1-ium nitrate |
|---|---|
| Formula | C7 H9 N7 O4 |
| Calculated formula | C7 H9 N7 O4 |
| Title of publication | Crystal structure of 2,4-diamino-7-(hydroxymethyl)pteridin-1-ium nitrate |
| Authors of publication | Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri; Jeevaraj, Muthaiah; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o376 - o377 |
| a | 6.406 ± 0.0017 Å |
| b | 14.96 ± 0.006 Å |
| c | 10.867 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1041.4 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240681.cif 2240681.hkl |
| 136463 | 2015-05-13 | cif/ hkl/ Adding structures of 2240681 via cif-deposit CGI script. |
2240681.cif 2240681.hkl |
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Users of the data should acknowledge the original authors of the
structural data.