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Information card for entry 2235455
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| Coordinates | 2235455.cif |
|---|---|
| Structure factors | 2235455.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol |
|---|---|
| Formula | C16 H17 N O2 |
| Calculated formula | C16 H17 N O2 |
| SMILES | Oc1c(cccc1OCC)/C=N/c1ccc(cc1)C |
| Title of publication | 2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol |
| Authors of publication | Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2011 |
| a | 29.5126 ± 0.0011 Å |
| b | 6.8703 ± 0.0003 Å |
| c | 28.2167 ± 0.0013 Å |
| α | 90° |
| β | 102.986 ± 0.003° |
| γ | 90° |
| Cell volume | 5574.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1749 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.1302 |
| Weighted residual factors for all reflections included in the refinement | 0.1807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2235455.cif 2235455.hkl |
| 181276 | 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 2/23/54. |
2235455.cif 2235455.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. |
2235455.cif 2235455.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235455.cif 2235455.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. | 2235455.cif 2235455.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235455.cif 2235455.hkl |
| 63924 | 2012-08-10 | cif/ Adding structures of 2235455 via cif-deposit CGI script. |
2235455.cif |
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Users of the data should acknowledge the original authors of the
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