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Information card for entry 7232929
Preview
| Coordinates | 7232929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Histamine dication form |
|---|---|
| Formula | C5 H13 Cl2 N3 O2 |
| Calculated formula | C5 H11 Cl2 N3 |
| Title of publication | pH-induced conformational changes in histamine in the solid state |
| Authors of publication | Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 34 |
| Pages of publication | 19375 |
| a | 4.449 ± 0.006 Å |
| b | 12.694 ± 0.016 Å |
| c | 7.577 ± 0.009 Å |
| α | 90° |
| β | 91.45 ± 0.03° |
| γ | 90° |
| Cell volume | 427.8 ± 0.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216444 (current) | 2019-06-21 | cif/ Adding structures of 7232927, 7232928, 7232929 via cif-deposit CGI script. |
7232929.cif |
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