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Information card for entry 7063176
Preview
| Coordinates | 7063176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H20 N O5 |
|---|---|
| Calculated formula | C9 H20 N O5 |
| Title of publication | Solvent and Stoichiometry-dependent Versatile Organogelation and Robust Crystallization from Supramolecular Association of Adipic Acid and Triethanolamine |
| Authors of publication | Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| a | 5.4015 ± 0.0008 Å |
| b | 14.376 ± 0.002 Å |
| c | 14.421 ± 0.002 Å |
| α | 90° |
| β | 94.264 ± 0.007° |
| γ | 90° |
| Cell volume | 1116.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291282 (current) | 2024-04-19 | cif/ Adding structures of 7063176, 7063177 via cif-deposit CGI script. |
7063176.cif |
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Users of the data should acknowledge the original authors of the
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