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Information card for entry 2239127
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| Coordinates | 2239127.cif |
|---|---|
| Structure factors | 2239127.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol |
|---|---|
| Formula | C16 H17 N O4 |
| Calculated formula | C16 H17 N O4 |
| SMILES | COc1cc(OC)cc(c1/C=N/c1ccccc1O)OC |
| Title of publication | (<i>E</i>)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol |
| Authors of publication | Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o62 - o63 |
| a | 7.3819 ± 0.0006 Å |
| b | 11.7036 ± 0.0009 Å |
| c | 16.4373 ± 0.0013 Å |
| α | 89.469 ± 0.002° |
| β | 85.616 ± 0.002° |
| γ | 80.456 ± 0.002° |
| Cell volume | 1396.34 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239127.cif 2239127.hkl |
| 181310 | 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 2/23/91. |
2239127.cif 2239127.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. |
2239127.cif 2239127.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2239127.cif 2239127.hkl |
| 105016 | 2014-03-11 | cif/ hkl/ Adding structures of 2239127 via cif-deposit CGI script. |
2239127.cif 2239127.hkl |
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Users of the data should acknowledge the original authors of the
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