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Information card for entry 1571239
Preview
| Coordinates | 1571239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | H-YLGGG-OH Q8 complex hydrate |
|---|---|
| Chemical name | L-tyrosyl-L-leucylglycylglycylglycine cucurbit[8]uril complex octadecahydrate |
| Formula | C69 H116 N37 O42 |
| Calculated formula | C69 H116 N37 O42 |
| Title of publication | Peptide recognition by a synthetic receptor at subnanomolar concentrations |
| Authors of publication | Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 14 |
| Pages of publication | 5133 - 5142 |
| a | 13.1125 ± 0.0001 Å |
| b | 21.0944 ± 0.0001 Å |
| c | 18.8571 ± 0.0001 Å |
| α | 90° |
| β | 107.233 ± 0.001° |
| γ | 90° |
| Cell volume | 4981.73 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Ambient diffracton pressure | 100 kPa |
| 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290832 (current) | 2024-04-05 | cif/ Updating files of 1571239, 1571240 Original log message: Adding full bibliography for 1571239--1571240.cif. |
1571239.cif |
| 290463 | 2024-03-13 | cif/ Adding structures of 1571239, 1571240 via cif-deposit CGI script. |
1571239.cif |
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Users of the data should acknowledge the original authors of the
structural data.