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Information card for entry 7241415
Preview
| Coordinates | 7241415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N-PhenylGly-Phe-OMe |
|---|---|
| Formula | C18 H20 N2 O3 |
| Calculated formula | C18 H20 N2 O3 |
| SMILES | O=C(N[C@H](C(=O)OC)Cc1ccccc1)CNc1ccccc1 |
| Title of publication | A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II) |
| Authors of publication | Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.9817 ± 0.0006 Å |
| b | 5.3645 ± 0.0003 Å |
| c | 14.6541 ± 0.0009 Å |
| α | 90° |
| β | 109.547 ± 0.006° |
| γ | 90° |
| Cell volume | 813.54 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258484 (current) | 2020-10-20 | cif/ Adding structures of 7241414, 7241415, 7241416 via cif-deposit CGI script. |
7241415.cif |
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