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Information card for entry 2229224
Preview
| Coordinates | 2229224.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Common name | 1,2-Bis(2-methoxy-6-formylphenoxy)ethane |
|---|---|
| Chemical name | 3,3'-Dimethoxy-2,2'-(ethane-1,2-diyldioxy)dibenzaldehyde |
| Formula | C18 H18 O6 |
| Calculated formula | C18 H18 O6 |
| SMILES | COc1cccc(c1OCCOc1c(cccc1C=O)OC)C=O |
| Title of publication | 1,2-Bis(2-methoxy-6-formylphenoxy)ethane |
| Authors of publication | Li, Hongqi; Cai, Li; Chen, Dongling; Li, Jinxing; Chen, Yijun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o306 |
| a | 4.161 ± 0.003 Å |
| b | 30.155 ± 0.018 Å |
| c | 12.934 ± 0.008 Å |
| α | 90° |
| β | 96.817 ± 0.007° |
| γ | 90° |
| Cell volume | 1611.4 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1274 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2229224.cif |
| 201978 | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229224.cif |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229224.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229224.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229224.cif |
| 12312 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229224 via cif-deposit CGI script. |
2229224.cif |
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Users of the data should acknowledge the original authors of the
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