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Information card for entry 1549413
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| Coordinates | 1549413.cif |
|---|---|
| Structure factors | 1549413.hkl |
| Original IUCr paper | HTML |
| Common name | Diisopropylammonium hydrogen phthalate |
|---|---|
| Chemical name | Diisopropylammonium hydrogen phthalate |
| Formula | C14 H21 N O4 |
| Calculated formula | C14 H21 N O4 |
| SMILES | [O-]C(=O)c1c(C(O)=O)cccc1.[NH2+](C(C)C)C(C)C |
| Title of publication | Diisopropylammonium hydrogen phthalate |
| Authors of publication | Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | x180704 |
| a | 8.16 ± 0.003 Å |
| b | 14.876 ± 0.005 Å |
| c | 12.549 ± 0.005 Å |
| α | 90° |
| β | 93.192 ± 0.009° |
| γ | 90° |
| Cell volume | 1520.9 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207790 (current) | 2018-05-15 | cif/ hkl/ Adding structures of 1549413 via cif-deposit CGI script. |
1549413.cif 1549413.hkl |
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Users of the data should acknowledge the original authors of the
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