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Information card for entry 4304067
Preview
Coordinates | 4304067.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-(2-imidazol)-1,5-dimethyl-6-oxoverdazyl |
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Formula | C7 H19 N6 O6 |
Calculated formula | C7 H19 N6 O6 |
SMILES | n1cc[nH]c1C1=NN(C(=O)[N](=N1)C)C.O.O.O.O.O |
Title of publication | Imidazole-Substituted Oxoverdazyl Radical As a Mediator of Intramolecular and Intermolecular Exchange Interaction |
Authors of publication | Lucie Norel; Fabrice Pointillart; Cyrille Train; Lise-Marie Chamoreau; Kamal Boubekeur; Yves Journaux; Aaron Brieger; David J. R. Brook |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 2396 - 2403 |
a | 6.7838 ± 0.0005 Å |
b | 10.4162 ± 0.0007 Å |
c | 10.7447 ± 0.0007 Å |
α | 83.275 ± 0.004° |
β | 71.895 ± 0.004° |
γ | 76.38 ± 0.003° |
Cell volume | 700.56 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1163 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.2045 |
Weighted residual factors for all reflections included in the refinement | 0.228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4304067.html
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