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Information card for entry 7241416
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| Coordinates | 7241416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Boc-Gly-Aib-OMe |
|---|---|
| Formula | C12 H22 N2 O5 |
| Calculated formula | C12 H22 N2 O5 |
| SMILES | O=C(NC(C(=O)OC)(C)C)CNC(=O)OC(C)(C)C |
| 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 | 11.6077 ± 0.0004 Å |
| b | 5.8948 ± 0.0002 Å |
| c | 23.3133 ± 0.001 Å |
| α | 90° |
| β | 100.55 ± 0.004° |
| γ | 90° |
| Cell volume | 1568.25 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
7241416.cif |
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