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Information card for entry 1565176
Preview
| Coordinates | 1565176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-tBu Dimer 1a |
|---|---|
| Formula | C25 H34 Cl N8 O2 |
| Calculated formula | C25 H34 Cl N8 O2 |
| Title of publication | Chiral, Sequence-Definable Foldamer-Derived Macrocycles |
| Authors of publication | Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.0526 ± 0.0001 Å |
| b | 12.0526 ± 0.0001 Å |
| c | 37.0309 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5379.3 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for all reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1707 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270581 (current) | 2021-11-11 | cif/ Adding structures of 1565175, 1565176, 1565177, 1565178 via cif-deposit CGI script. |
1565176.cif |
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Users of the data should acknowledge the original authors of the
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