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Information card for entry 2007165
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| Coordinates | 2007165.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H24 O3 |
|---|---|
| Calculated formula | C20 H24 O3 |
| SMILES | O=C(CC12CC3(C[C@@H](C[C@H](C1)C3)C2)C)c1ccc(cc1)C(=O)O.O=C(CC12CC3(C[C@H](C[C@@H](C1)C3)C2)C)c1ccc(cc1)C(=O)O |
| Title of publication | Structure and Photochemistry of Four Adamantylacetophenones |
| Authors of publication | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 491 - 496 |
| a | 12.987 ± 0.003 Å |
| b | 18.439 ± 0.005 Å |
| c | 7.281 ± 0.002 Å |
| α | 101.23 ± 0.02° |
| β | 98.32 ± 0.02° |
| γ | 91.12 ± 0.02° |
| Cell volume | 1690.1 ± 0.8 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 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 | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.02 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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