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Information card for entry 7052530
Preview
Coordinates | 7052530.cif |
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Original paper (by DOI) | HTML |
Common name | 2,4-di-tert-butyl-6-((1-hydroxy-cyclohexylmethylimino)- methyl)-phenol |
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Chemical name | 2,4-di-tert-butyl-6-[(1-hydroxy-cyclohexylmethylimino)-methyl]-phenol |
Formula | C22 H35 N O2 |
Calculated formula | C22 H35 N O2 |
SMILES | c1(c(cc(cc1/C=N/CC1(CCCCC1)O)C(C)(C)C)C(C)(C)C)O |
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 | 14.5103 ± 0.0002 Å |
b | 28.8821 ± 0.0004 Å |
c | 10.2616 ± 0.0001 Å |
α | 90° |
β | 92.184 ± 0.004° |
γ | 90° |
Cell volume | 4297.39 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1297 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1604 |
Weighted residual factors for all reflections included in the refinement | 0.191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7052530.html
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