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Information card for entry 1551092
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| Coordinates | 1551092.cif |
|---|---|
| Structure factors | 1551092.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dodecan-1-aminium sulfate trihydrate |
|---|---|
| Formula | C24 H62 N2 O7 S |
| Calculated formula | C24 H62 N2 O7 S |
| SMILES | S(=O)(=O)([O-])[O-].O.O.O.[NH3+]CCCCCCCCCCCC.[NH3+]CCCCCCCCCCCC |
| Title of publication | Dodecan-1-aminium sulfate trihydrate |
| Authors of publication | Liu, Jiapan; Di, Youying; Chen, Fengying |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | x190704 |
| a | 6.9477 ± 0.0004 Å |
| b | 10.8782 ± 0.0007 Å |
| c | 20.8769 ± 0.0011 Å |
| α | 89.11 ± 0.003° |
| β | 87.052 ± 0.003° |
| γ | 78.876 ± 0.003° |
| Cell volume | 1546.13 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.39 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215399 (current) | 2019-05-22 | cif/ hkl/ Adding structures of 1551092 via cif-deposit CGI script. |
1551092.cif 1551092.hkl |
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Users of the data should acknowledge the original authors of the
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