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Information card for entry 1520507
Preview
| Coordinates | 1520507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H86 N4 O6 |
|---|---|
| Calculated formula | C42 H86 N4 O6 |
| SMILES | O=C([O-])CCC(=O)NCCCCCCNC(=O)CCC(=O)[O-].[NH3+]CCCCCCCCCCCCCC.[NH3+]CCCCCCCCCCCCCC |
| Title of publication | Heat-set gels formed from easily accessible gelators of a succinamic acid derivative (SAD) and a primary alkyl amine (R-NH2). |
| Authors of publication | Zhong, Di-Chang; Liao, Lie-Qiang; Wang, Ke-Jun; Liu, Hui-Jin; Luo, Xu-Zhong |
| Journal of publication | Soft matter |
| Year of publication | 2015 |
| Journal volume | 11 |
| Journal issue | 32 |
| Pages of publication | 6386 - 6392 |
| a | 4.7746 ± 0.0003 Å |
| b | 5.4698 ± 0.0003 Å |
| c | 44.772 ± 0.003 Å |
| α | 91.162 ± 0.005° |
| β | 91.821 ± 0.005° |
| γ | 96.985 ± 0.005° |
| Cell volume | 1159.66 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1219 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2115 |
| Weighted residual factors for all reflections included in the refinement | 0.2365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520507.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520507.cif |
| 153291 | 2015-08-08 | cif/ Updating files of 1520507 Original log message: Adding full bibliography for 1520507.cif. |
1520507.cif |
| 139073 | 2015-06-11 | cif/ Adding structures of 1520507 via cif-deposit CGI script. |
1520507.cif |
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Users of the data should acknowledge the original authors of the
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