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Information card for entry 1545586
Preview
Coordinates | 1545586.cif |
---|---|
Structure factors | 1545586.hkl |
Original IUCr paper | HTML |
Chemical name | 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol |
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Formula | C23 H32 N2 O |
Calculated formula | C23 H32 N2 O |
SMILES | Oc1c(/C=N/c2ccc(N(C)C)cc2)cc(cc1C(C)(C)C)C(C)(C)C |
Title of publication | 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol |
Authors of publication | Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. |
Journal of publication | IUCrData |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 3 |
Pages of publication | x170396 |
a | 22.8029 ± 0.0015 Å |
b | 9.9908 ± 0.0007 Å |
c | 9.3304 ± 0.0006 Å |
α | 90° |
β | 90.247 ± 0.002° |
γ | 90° |
Cell volume | 2125.6 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1077 |
Residual factor for significantly intense reflections | 0.0696 |
Weighted residual factors for significantly intense reflections | 0.1808 |
Weighted residual factors for all reflections included in the refinement | 0.2145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
194325 (current) | 2017-03-17 | cif/ hkl/ Adding structures of 1545586 via cif-deposit CGI script. |
1545586.cif 1545586.hkl |
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Users of the data should acknowledge the original authors of the
structural data.