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Information card for entry 4504797
Preview
| Coordinates | 4504797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H55 N O2 |
|---|---|
| Calculated formula | C28 H55 N O2 |
| Title of publication | Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D |
| Authors of publication | Trivedi, Darshak R.; Dastidar, Parthasarathi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 1022 |
| a | 5.594 ± 0.006 Å |
| b | 11.015 ± 0.013 Å |
| c | 23.69 ± 0.03 Å |
| α | 96.13 ± 0.02° |
| β | 90.55 ± 0.02° |
| γ | 99.05 ± 0.03° |
| Cell volume | 1433 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2098 |
| Residual factor for significantly intense reflections | 0.1055 |
| Weighted residual factors for significantly intense reflections | 0.2411 |
| Weighted residual factors for all reflections included in the refinement | 0.3031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.816 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504797.cif |
| 179582 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/47. |
4504797.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504797.cif |
| 47541 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504797 via cif-deposit CGI script. |
4504797.cif |
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Users of the data should acknowledge the original authors of the
structural data.