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Information card for entry 7232927
Preview
| Coordinates | 7232927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Histamine monocation |
|---|---|
| Formula | C10 H9 Cl N4 Na |
| Calculated formula | C10 H20 Cl2 N6 |
| SMILES | c1c(CC[NH3+])nc[nH]1.[Cl-] |
| 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 | 4.6228 ± 0.0003 Å |
| b | 9.2043 ± 0.0009 Å |
| c | 17.413 ± 0.0013 Å |
| α | 90° |
| β | 92.3164 ± 0.0018° |
| γ | 90° |
| Cell volume | 740.31 ± 0.1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| 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. |
7232927.cif |
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