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Information card for entry 1567617
Preview
| Coordinates | 1567617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H51 F6 N5 O6 S2 |
|---|---|
| Calculated formula | C59 H51 F6 N5 O6 S2 |
| Title of publication | Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs |
| Authors of publication | Karak, Pirudhan; Choudhury, Joyanta |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 37 |
| Pages of publication | 11163 - 11173 |
| a | 22.116 ± 0.007 Å |
| b | 17.029 ± 0.005 Å |
| c | 16.379 ± 0.008 Å |
| α | 90° |
| β | 124.27 ± 0.01° |
| γ | 90° |
| Cell volume | 5098 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0786 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278413 (current) | 2022-10-07 | cif/ Updating files of 1567617, 1567618, 1567619, 1567620, 1567621 Original log message: Adding full bibliography for 1567617--1567621.cif. |
1567617.cif |
| 277777 | 2022-09-13 | cif/ Adding structures of 1567617, 1567618, 1567619, 1567620, 1567621 via cif-deposit CGI script. |
1567617.cif |
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Users of the data should acknowledge the original authors of the
structural data.