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Information card for entry 8107076
Preview
| Coordinates | 8107076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H34.34 N3 O5.67 |
|---|---|
| Calculated formula | C22 H34.334 N3 O5.667 |
| Title of publication | Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O |
| Authors of publication | Schutte-Smith, Marietjie; Eselem Bungu, Paul Severin; Steyl, Gideon; Roodt, Andreas |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 999 - 1002 |
| a | 11.9915 ± 0.0006 Å |
| b | 18.993 ± 0.001 Å |
| c | 10.5332 ± 0.0005 Å |
| α | 90° |
| β | 112.155 ± 0.002° |
| γ | 90° |
| Cell volume | 2221.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282520 (current) | 2023-04-07 | cif/ Adding structures of 8107076 via cif-deposit CGI script. |
8107076.cif |
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Users of the data should acknowledge the original authors of the
structural data.