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Information card for entry 7108930
Preview
| Coordinates | 7108930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | foldamers |
|---|---|
| Formula | C18 H27 N3 O7 S |
| Calculated formula | C18 H27 N3 O7 S |
| SMILES | S(=O)(=O)(NC(C)(C)C(=O)OC)c1c(NC(=O)CNC(=O)OC(C)(C)C)cccc1 |
| Title of publication | Orthanilic acid-promoted reverse turn formation in peptides |
| Authors of publication | Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2222 - 2224 |
| a | 14.8435 ± 0.0006 Å |
| b | 9.8421 ± 0.0004 Å |
| c | 29.388 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4293.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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