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Information card for entry 7120863
Preview
| Coordinates | 7120863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H36 N6 O2 S |
|---|---|
| Calculated formula | C35 H36 N6 O2 S |
| SMILES | S=C(NNC(=O)C1N(C(=O)Cc2ccc(N(C)C)cc2)CCC1)NCc1ccc2c3c1ccc1c3c(cc2)ccc1.N#CC |
| Title of publication | Folded short azapeptide for conformation switching based fluorescent sensing |
| Authors of publication | Yuan, Yuan; Yan, Xiao-Sheng; Li, Xiao-Rui; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 14.7 ± 0.002 Å |
| b | 8.4865 ± 0.0012 Å |
| c | 26.024 ± 0.004 Å |
| α | 90° |
| β | 98.902 ± 0.013° |
| γ | 90° |
| Cell volume | 3207.4 ± 0.8 Å3 |
| Cell temperature | 118.6 ± 0.5 K |
| Ambient diffraction temperature | 118.6 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1668 |
| Residual factor for significantly intense reflections | 0.1428 |
| Weighted residual factors for significantly intense reflections | 0.3548 |
| Weighted residual factors for all reflections included in the refinement | 0.3757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202990 (current) | 2017-11-09 | cif/ Adding structures of 7120863 via cif-deposit CGI script. |
7120863.cif |
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Users of the data should acknowledge the original authors of the
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