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Information card for entry 4517363
Preview
| Coordinates | 4517363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H25 N3 O4 |
|---|---|
| Calculated formula | C25 H25 N3 O4 |
| SMILES | O=C(NC(C(=O)Nc1cc(C(=O)OC)ccc1)(C)C)c1ccccc1Nc1ccccc1 |
| 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 | 13.2844 ± 0.0009 Å |
| b | 9.4272 ± 0.0006 Å |
| c | 36.075 ± 0.002 Å |
| α | 90° |
| β | 93.302 ± 0.004° |
| γ | 90° |
| Cell volume | 4510.3 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| 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 | 0.1735 |
| Residual factor for significantly intense reflections | 0.1315 |
| Weighted residual factors for significantly intense reflections | 0.3302 |
| Weighted residual factors for all reflections included in the refinement | 0.3497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247380 (current) | 2020-01-31 | cif/ Adding structures of 4517363 via cif-deposit CGI script. |
4517363.cif |
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Users of the data should acknowledge the original authors of the
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