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Information card for entry 7125600
Preview
| Coordinates | 7125600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H31 N3 O4 |
|---|---|
| Calculated formula | C17 H31 N3 O4 |
| Title of publication | Accessing the disallowed conformations of peptides employing amide-to-imidate modification. |
| Authors of publication | Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 33 |
| Pages of publication | 9417 - 9419 |
| a | 6.031 ± 0.005 Å |
| b | 8.634 ± 0.005 Å |
| c | 18.78 ± 0.005 Å |
| α | 90° |
| β | 94.933 ± 0.005° |
| γ | 90° |
| Cell volume | 974.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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 |
|---|---|---|---|
| 244142 (current) | 2019-11-28 | cif/ Adding structures of 7125599, 7125600 via cif-deposit CGI script. |
7125600.cif |
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Users of the data should acknowledge the original authors of the
structural data.