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Information card for entry 2232355
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| Coordinates | 2232355.cif |
|---|---|
| Structure factors | 2232355.hkl |
| Original IUCr paper | HTML |
| Common name | 1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone |
|---|---|
| Chemical name | 1-(2-{4-[(2-Acetylphenoxy)methyl]benzyloxy}phenyl)ethanone |
| Formula | C24 H22 O4 |
| Calculated formula | C24 H22 O4 |
| SMILES | CC(=O)c1ccccc1OCc1ccc(cc1)COc1ccccc1C(=O)C |
| Title of publication | 1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone |
| Authors of publication | Al-Mohammed, Nassir N. N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o3016 |
| a | 6.849 ± 0.0001 Å |
| b | 15.0815 ± 0.0002 Å |
| c | 17.8519 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1843.98 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/23. |
2232355.cif 2232355.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232355.cif 2232355.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232355.cif 2232355.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232355.cif 2232355.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232355.cif 2232355.hkl |
| 31010 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232355 via cif-deposit CGI script. |
2232355.cif |
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Users of the data should acknowledge the original authors of the
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