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Information card for entry 4507365
Preview
Coordinates | 4507365.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H21 N2 O5 |
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Calculated formula | C15 H21 N2 O5 |
SMILES | Oc1c(OC)cc(cc1OC)C1=N(=O)C(C([N]1=O)(C)C)(C)C |
Title of publication | Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl |
Authors of publication | Seber, Gonca; Freitas, Rafael S.; Oliveira, Nei Fernandes; Lahti, Paul M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 893 |
a | 14.2986 ± 0.0005 Å |
b | 13.6054 ± 0.0005 Å |
c | 9.8965 ± 0.0002 Å |
α | 90° |
β | 123.152 ± 0.0016° |
γ | 90° |
Cell volume | 1611.86 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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