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Information card for entry 1563994
Preview
| Coordinates | 1563994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H55 O7 P |
|---|---|
| Calculated formula | C56 H55 O7 P |
| Title of publication | Folding and duplex formation in mixed sequence recognition-encoded m-phenylene ethynylene polymers |
| Authors of publication | Iadevaia, Giulia; Swain, Jonathan A.; Núñez-Villanueva, Diego; Bond, Andrew D.; Hunter, Christopher A. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 24.555 ± 0.0007 Å |
| b | 11.5883 ± 0.0003 Å |
| c | 37.9435 ± 0.001 Å |
| α | 90° |
| β | 108.319 ± 0.0014° |
| γ | 90° |
| Cell volume | 10249.7 ± 0.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1842 |
| Residual factor for significantly intense reflections | 0.1418 |
| Weighted residual factors for significantly intense reflections | 0.387 |
| Weighted residual factors for all reflections included in the refinement | 0.4299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267313 (current) | 2021-07-07 | cif/ Adding structures of 1563994 via cif-deposit CGI script. |
1563994.cif |
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Users of the data should acknowledge the original authors of the
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