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Information card for entry 7108932
Preview
| Coordinates | 7108932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Peptide |
|---|---|
| Formula | C19 H30 N4 O6 S |
| Calculated formula | C19 H30 N4 O6 S |
| SMILES | S(=O)(=O)(NC(C)(C)C(=O)NC)c1c(NC(=O)C(NC(=O)OC(C)(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 | 8.47 ± 0.0009 Å |
| b | 10.242 ± 0.002 Å |
| c | 14.857 ± 0.002 Å |
| α | 109.363 ± 0.013° |
| β | 92.148 ± 0.011° |
| γ | 111.533 ± 0.007° |
| Cell volume | 1112.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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