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Information card for entry 7239140
Preview
| Coordinates | 7239140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H41 Br N2 O2 |
|---|---|
| Calculated formula | C22 H41 Br N2 O2 |
| Title of publication | The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators |
| Authors of publication | Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 47 |
| Pages of publication | 25151 |
| a | 22.834 ± 0.007 Å |
| b | 8.194 ± 0.003 Å |
| c | 13.429 ± 0.004 Å |
| α | 90° |
| β | 98.048 ± 0.008° |
| γ | 90° |
| Cell volume | 2487.8 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1492 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.889 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239140.cif |
| 244571 | 2019-11-28 | cif/ Adding structures of 7239140, 7239141 via cif-deposit CGI script. |
7239140.cif |
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Users of the data should acknowledge the original authors of the
structural data.