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Information card for entry 2239335
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| Coordinates | 2239335.cif |
|---|---|
| Structure factors | 2239335.hkl |
| Original paper (by DOI) | HTML |
| Common name | {[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene |
|---|---|
| Formula | C23 H24 O3 |
| Calculated formula | C23 H24 O3 |
| SMILES | CC(COc1ccccc1)(COc1ccccc1)COc1ccccc1 |
| Title of publication | {[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene |
| Authors of publication | Moussa, Ziad; Al-Masri, Harbi Tomah; Shraim, Amjed; Fettouhi, Mohammed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o539 |
| a | 13.5755 ± 0.0015 Å |
| b | 6.2829 ± 0.0007 Å |
| c | 22.514 ± 0.003 Å |
| α | 90° |
| β | 91.033 ± 0.002° |
| γ | 90° |
| Cell volume | 1920 ± 0.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239335.cif 2239335.hkl |
| 181312 | 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 2/23/93. |
2239335.cif 2239335.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. |
2239335.cif 2239335.hkl |
| 109463 | 2014-04-13 | cif/ hkl/ Adding structures of 2239335 via cif-deposit CGI script. |
2239335.cif 2239335.hkl |
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Users of the data should acknowledge the original authors of the
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