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Information card for entry 2022474
Preview
Coordinates | 2022474.cif |
---|---|
Structure factors | 2022474.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol |
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Formula | C21 H26 Cl N O |
Calculated formula | C21 H26 Cl N O |
SMILES | Clc1ccc(/N=C/c2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)cc1 |
Title of publication | Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour |
Authors of publication | Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 10 |
Pages of publication | 659 - 667 |
a | 17.3623 ± 0.0008 Å |
b | 10.6691 ± 0.0004 Å |
c | 10.1512 ± 0.0006 Å |
α | 90° |
β | 90.123 ± 0.005° |
γ | 90° |
Cell volume | 1880.41 ± 0.16 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0978 |
Residual factor for significantly intense reflections | 0.0716 |
Weighted residual factors for significantly intense reflections | 0.1664 |
Weighted residual factors for all reflections included in the refinement | 0.1841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2022474.html
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