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Information card for entry 1569074
Preview
| Coordinates | 1569074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 O5 |
|---|---|
| Calculated formula | C18 H18 O5 |
| Title of publication | Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics. |
| Authors of publication | Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 8 |
| Pages of publication | 3412 |
| a | 7.4636 ± 0.0005 Å |
| b | 8.4407 ± 0.0003 Å |
| c | 25.5378 ± 0.0012 Å |
| α | 97.847 ± 0.003° |
| β | 93.939 ± 0.006° |
| γ | 95.084 ± 0.004° |
| Cell volume | 1582.17 ± 0.14 Å3 |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2327 |
| Weighted residual factors for all reflections included in the refinement | 0.2634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0364 |
| 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 |
|---|---|---|---|
| 283548 (current) | 2023-05-06 | cif/ Adding structures of 1569074 via cif-deposit CGI script. |
1569074.cif |
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Users of the data should acknowledge the original authors of the
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