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Information card for entry 4024352
Preview
Coordinates | 4024352.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,5-diisopropyl-3-(4'-hydroxyphenyl)-6-oxo-verdazyl |
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Formula | C14 H19 N4 O2 |
Calculated formula | C14 H19 N4 O2 |
SMILES | CC(C)[N]1=NC(=NN(C1=O)C(C)C)c1ccc(O)cc1 |
Title of publication | Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents |
Authors of publication | Victoria Chemistruck; Dallas Chambers; David J. R. Brook |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 1850 - 1857 |
a | 6.171 ± 0.001 Å |
b | 18.048 ± 0.003 Å |
c | 13.106 ± 0.002 Å |
α | 90° |
β | 96.19 ± 0.01° |
γ | 90° |
Cell volume | 1451.2 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.1463 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178422 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/43. |
4024352.cif |
120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024352.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024352.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024352.cif |
948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024352.cif |
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