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Information card for entry 1551313
Preview
| Coordinates | 1551313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H27 N O6 |
|---|---|
| Calculated formula | C13 H27 N O6 |
| SMILES | OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCC |
| Title of publication | Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments. |
| Authors of publication | Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette |
| Journal of publication | Nanoscale |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 32 |
| Pages of publication | 15043 - 15056 |
| a | 4.957 ± 0.003 Å |
| b | 5.007 ± 0.004 Å |
| c | 30.6 ± 0.02 Å |
| α | 90° |
| β | 92.98 ± 0.008° |
| γ | 90° |
| Cell volume | 758.5 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551313.cif |
| 224661 | 2019-11-08 | cif/ Updating files of 1551313 Original log message: Adding full bibliography for 1551313.cif. |
1551313.cif |
| 215804 | 2019-06-11 | cif/ Adding structures of 1551313 via cif-deposit CGI script. |
1551313.cif |
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Users of the data should acknowledge the original authors of the
structural data.