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Information card for entry 2200774
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| Coordinates | 2200774.cif |
|---|---|
| Structure factors | 2200774.hkl |
| Original IUCr paper | HTML |
| Formula | C23 H18 O3 |
|---|---|
| Calculated formula | C23 H18 O3 |
| SMILES | CCCOC12C(=O)C=Cc3c1c(ccc3)Oc1c2c2ccccc2cc1 |
| Title of publication | 1-Oxo-13c-propoxy-1,13c-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthene |
| Authors of publication | Cai, Yue-Peng; Tan, Duan-Min; Liao, Miao-Fen; Su, Cheng-Yong; Xu, Zun-Le; Kang, Bei-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | o1014 - o1015 |
| a | 12.584 ± 0.003 Å |
| b | 10.083 ± 0.002 Å |
| c | 13.956 ± 0.003 Å |
| α | 90° |
| β | 102.57 ± 0.03° |
| γ | 90° |
| Cell volume | 1728.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.