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Information card for entry 2206783
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| Coordinates | 2206783.cif |
|---|---|
| Structure factors | 2206783.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde |
|---|---|
| Formula | C17 H16 O4 |
| Calculated formula | C17 H16 O4 |
| SMILES | O=Cc1c(OCCCOc2ccccc2C=O)cccc1 |
| Title of publication | 2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde |
| Authors of publication | Pu-Zhou Hu; Lu-Fang Ma; Jian-Ge Wang; Bang-Tun Zhao; Li-Ya Wang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2775 - o2777 |
| a | 12.8275 ± 0.0012 Å |
| b | 14.8431 ± 0.0013 Å |
| c | 7.8272 ± 0.0007 Å |
| α | 90° |
| β | 95.334 ± 0.002° |
| γ | 90° |
| Cell volume | 1483.8 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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