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Information card for entry 2243922
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| Coordinates | 2243922.cif |
|---|---|
| Structure factors | 2243922.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9,9-Diethylfluorene-2,4,7-tricarbaldehyde |
|---|---|
| Formula | C20 H18 O3 |
| Calculated formula | C20 H18 O3 |
| SMILES | O=Cc1cc2C(c3cc(ccc3c2c(c1)C=O)C=O)(CC)CC |
| Title of publication | Crystal structure of 9,9-diethyl-9<i>H</i>-fluorene-2,4,7-tricarbaldehyde |
| Authors of publication | Seidel, Pierre; Schwarzer, Anke; Mazik, Monika |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| Pages of publication | 1 - 0 |
| a | 15.6595 ± 0.0009 Å |
| b | 13.1466 ± 0.0014 Å |
| c | 7.6834 ± 0.0015 Å |
| α | 90° |
| β | 93.146 ± 0.009° |
| γ | 90° |
| Cell volume | 1579.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269204 (current) | 2021-09-18 | cif/ hkl/ Adding structures of 2243922 via cif-deposit CGI script. |
2243922.cif 2243922.hkl |
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