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Information card for entry 7225564
Preview
| Coordinates | 7225564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H33 N6 O6 |
|---|---|
| Calculated formula | C26 H33 N3 O6 |
| SMILES | O=C(NCC(=O)N[C@H](C(=O)OC)Cc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1 |
| Title of publication | Photo-responsive modulation of hybrid peptide assembly, charge transfer complex formation and gelation |
| Authors of publication | HALDAR, DEBASISH; Maji, Krishnendu; Pramanik, Apurba; Paikar, Arpita |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 34.468 ± 0.006 Å |
| b | 5.0526 ± 0.0007 Å |
| c | 15.304 ± 0.002 Å |
| α | 90° |
| β | 95.071 ± 0.015° |
| γ | 90° |
| Cell volume | 2654.8 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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 |
|---|---|---|---|
| 183531 (current) | 2016-06-16 | cif/ Adding structures of 7225564 via cif-deposit CGI script. |
7225564.cif |
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Users of the data should acknowledge the original authors of the
structural data.