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Information card for entry 2006295
Preview
| Coordinates | 2006295.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione |
|---|---|
| Formula | C25 H24 O2 |
| Calculated formula | C25 H24 O2 |
| SMILES | O=C(C(=C1C2CC3CC1CC(C2)C3)C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives |
| Authors of publication | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 956 - 959 |
| a | 15.46 ± 0.007 Å |
| b | 10.128 ± 0.002 Å |
| c | 12.68 ± 0.003 Å |
| α | 90° |
| β | 101.67 ± 0.02° |
| γ | 90° |
| Cell volume | 1944.4 ± 1.1 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Goodness-of-fit parameter for significantly intense reflections | 4.7 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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