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Information card for entry 7241664
Preview
| Coordinates | 7241664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.67 H4.17 N0.5 O1.17 |
|---|---|
| Calculated formula | C3.6667 H4.1668 N0.5 O1.1667 |
| Title of publication | Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation |
| Authors of publication | Awatani, Ayano; Suzuki, Masaaki |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 64 |
| Pages of publication | 39033 - 39036 |
| a | 13.202 ± 0.007 Å |
| b | 13.202 ± 0.007 Å |
| c | 6.454 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 974.2 ± 0.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259581 (current) | 2020-12-06 | cif/ Adding structures of 7241663, 7241664, 7241665, 7241666 via cif-deposit CGI script. |
7241664.cif |
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Users of the data should acknowledge the original authors of the
structural data.