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Information card for entry 2300759
Preview
| Coordinates | 2300759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 O3 |
|---|---|
| Calculated formula | C18 H10 O3 |
| Title of publication | Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival |
| Authors of publication | Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2025 |
| Journal volume | 58 |
| Journal issue | 3 |
| a | 18.0174 ± 0.0001 Å |
| b | 20.9221 ± 0.0002 Å |
| c | 26.0847 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9832.94 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0366 |
| Weighted residual factors for all reflections included in the refinement | 0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 298782 (current) | 2025-04-05 | cif/ Adding structures of 2300759, 2300760, 2300761, 2300762, 2300763, 2300764, 2300765 via cif-deposit CGI script. |
2300759.cif |
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Users of the data should acknowledge the original authors of the
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