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Information card for entry 2011845
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| Coordinates | 2011845.cif |
|---|---|
| Structure factors | 2011845.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-(1-Acetoxyethylidene)fluorene |
|---|---|
| Formula | C17 H14 O2 |
| Calculated formula | C17 H14 O2 |
| SMILES | O(C(=C1/c2c(c3ccccc13)cccc2)/C)C(=O)C |
| Title of publication | 9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium |
| Authors of publication | Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 428 - 430 |
| a | 9.8818 ± 0.0017 Å |
| b | 27.375 ± 0.006 Å |
| c | 9.811 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2654 ± 0.8 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.143 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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