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Information card for entry 4504790
Preview
| Coordinates | 4504790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H30 N O2.5 |
|---|---|
| Calculated formula | C15 H30 N O2.5 |
| 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 | 25.776 ± 0.002 Å |
| b | 8.4636 ± 0.0007 Å |
| c | 18.9116 ± 0.0015 Å |
| α | 90° |
| β | 131.156 ± 0.001° |
| γ | 90° |
| Cell volume | 3106.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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. |
4504790.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504790.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504790.cif |
| 47534 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504790 via cif-deposit CGI script. |
4504790.cif |
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Users of the data should acknowledge the original authors of the
structural data.