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Information card for entry 2239410
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| Coordinates | 2239410.cif |
|---|---|
| Structure factors | 2239410.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol |
|---|---|
| Formula | C29 H28 N2 O3 |
| Calculated formula | C29 H28 N2 O3 |
| SMILES | CCOc1ccc(cc1)N(c1ccc(cc1)OCC)c1ccc(cc1)/N=C/c1ccccc1O |
| Title of publication | 2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol |
| Authors of publication | Gao, Bing-Fei; Jin, Zhe-Peng; Chen, Jiang; Tian, Yu-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o313 |
| a | 9.765 ± 0.003 Å |
| b | 13.113 ± 0.004 Å |
| c | 19.378 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2481.3 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239410.cif 2239410.hkl |
| 181313 | 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 2/23/94. |
2239410.cif 2239410.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. |
2239410.cif 2239410.hkl |
| 110693 | 2014-04-19 | cif/ hkl/ Adding structures of 2239410 via cif-deposit CGI script. |
2239410.cif 2239410.hkl |
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