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Information card for entry 8106208
Preview
| Coordinates | 8106208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H50 N4 O7 |
|---|---|
| Calculated formula | C25 H50 N4 O7 |
| Title of publication | Crystal structure of guanidinium tetrabutyl-ammonium 5-hydroxyisophthalate dihydrate, C25H50N4O7 |
| Authors of publication | Liu, Yalin; Li, Qiufang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 537 - 538 |
| a | 14.7637 ± 0.0011 Å |
| b | 12.0608 ± 0.0009 Å |
| c | 16.7391 ± 0.0014 Å |
| α | 90° |
| β | 101.086 ± 0.001° |
| γ | 90° |
| Cell volume | 2925 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0657 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279489 (current) | 2022-11-23 | cif/ Adding structures of 8106208 via cif-deposit CGI script. |
8106208.cif |
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Users of the data should acknowledge the original authors of the
structural data.