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Information card for entry 4517364
Preview
| Coordinates | 4517364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H29 N3 O4 |
|---|---|
| Calculated formula | C27 H29 N3 O4 |
| SMILES | O=C(NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)c1c(Nc2ccccc2)cccc1 |
| Title of publication | Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation |
| Authors of publication | Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 6.9113 ± 0.0003 Å |
| b | 18.1972 ± 0.0008 Å |
| c | 10.137 ± 0.0004 Å |
| α | 90° |
| β | 105.648 ± 0.005° |
| γ | 90° |
| Cell volume | 1227.64 ± 0.09 Å3 |
| Cell temperature | 298 ± 4 K |
| Ambient diffraction temperature | 298 ± 4 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247381 (current) | 2020-01-31 | cif/ Adding structures of 4517364 via cif-deposit CGI script. |
4517364.cif |
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Users of the data should acknowledge the original authors of the
structural data.