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Information card for entry 1505748
Preview
| Coordinates | 1505748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H27 Cu N O2 |
|---|---|
| Calculated formula | C22 H27 Cu N O2 |
| Title of publication | Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest. |
| Authors of publication | Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 42 |
| Pages of publication | 21365 - 21370 |
| a | 10.3633 ± 0.0007 Å |
| b | 14.4094 ± 0.0009 Å |
| c | 13.5082 ± 0.0007 Å |
| α | 90° |
| β | 107.873 ± 0.004° |
| γ | 90° |
| Cell volume | 1919.8 ± 0.2 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505748.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505748.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505748.cif |
| 47697 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505748 via cif-deposit CGI script. |
1505748.cif |
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Users of the data should acknowledge the original authors of the
structural data.