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Information card for entry 7052533
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| Coordinates | 7052533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,4-ditertbutyl-6-((2-hydroxymethylphenylimino)methyl) phenol |
|---|---|
| Chemical name | 2,4-ditertbutyl-6-[(2-hydroxymethylphenylimino)methyl] phenol |
| Formula | C22 H29 N O2 |
| Calculated formula | C22 H29.0005 N O2.0005 |
| Title of publication | X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond |
| Authors of publication | Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 1 |
| Pages of publication | 156 |
| a | 10.2518 ± 0.0002 Å |
| b | 10.4845 ± 0.0002 Å |
| c | 19.6987 ± 0.0004 Å |
| α | 95.9376 ± 0.0007° |
| β | 104.155 ± 0.0008° |
| γ | 92.2975 ± 0.0008° |
| Cell volume | 2037.31 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1378 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1864 |
| Weighted residual factors for all reflections included in the refinement | 0.2251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052533.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052533.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052533.cif |
| 14945 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052530, 7052531, 7052532, 7052533, 7052534, 7052535, 7052536, 7052537 via cif-deposit CGI script. |
7052533.cif |
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Users of the data should acknowledge the original authors of the
structural data.