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Information card for entry 2003047
Preview
| Coordinates | 2003047.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4'-ethoxycarbonyl-2,4,6-triisopropylbenzophenone |
|---|---|
| Formula | C25 H32 O3 |
| Calculated formula | C25 H32 O3 |
| SMILES | O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(=O)OCC |
| Title of publication | Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones |
| Authors of publication | Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 895 - 906 |
| a | 10.83 ± 0.002 Å |
| b | 12.717 ± 0.002 Å |
| c | 9.379 ± 0.001 Å |
| α | 104.53 ± 0.01° |
| β | 99.15 ± 0.01° |
| γ | 105.14 ± 0.01° |
| Cell volume | 1171.6 ± 0.3 Å3 |
| Cell temperature | 293 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 significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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