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Information card for entry 2023309
Preview
| Coordinates | 2023309.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C17 H14 F6 S2 |
|---|---|
| Calculated formula | C17 H14 F6 S2 |
| Title of publication | Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates. |
| Authors of publication | Isobe, Mami; Kitagawa, Daichi; Kobatake, Seiya |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 732 - 737 |
| a | 12.047 ± 0.003 Å |
| b | 17.4 ± 0.005 Å |
| c | 16.281 ± 0.005 Å |
| α | 90° |
| β | 92.306 ± 0.003° |
| γ | 90° |
| Cell volume | 3410 ± 1.7 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.