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Information card for entry 7160401
Preview
| Coordinates | 7160401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C74H111N11O14(MeCN)3.7(CH2Cl2)0.6 |
|---|---|
| Chemical name | 1C7 |
| Formula | C82 H123.3 Cl1.2 N14.7 O14 |
| Calculated formula | C82 H123.3 Cl1.2 N14.7 O14 |
| Title of publication | Stabilization of optically inactive α-helices of peptidic foldamers through sequence control and <i>i</i>, <i>i</i> + 4 stapling. |
| Authors of publication | Ousaka, Naoki; MacLachlan, Mark J.; Akine, Shigehisa; Fujikawa, Shigenori |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 3366 - 3371 |
| a | 20.35 ± 0.0007 Å |
| b | 22.3725 ± 0.0007 Å |
| c | 23.1066 ± 0.0007 Å |
| α | 67.45 ± 0.002° |
| β | 64.256 ± 0.002° |
| γ | 83.47 ± 0.002° |
| Cell volume | 8733.7 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.138 |
| Residual factor for significantly intense reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.2323 |
| Weighted residual factors for all reflections included in the refinement | 0.279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299113 (current) | 2025-04-05 | cif/ Updating files of 7160401 Original log message: Adding full bibliography for 7160401.cif. |
7160401.cif |
| 298301 | 2025-03-06 | cif/ Adding structures of 7160401 via cif-deposit CGI script. |
7160401.cif |
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Users of the data should acknowledge the original authors of the
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