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Information card for entry 7207338
Preview
Coordinates | 7207338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 N2 O2 |
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Calculated formula | C23 H21 N2 O2 |
SMILES | O=N1=C([N](=O)C(C1(C)C)(C)C)c1ccc2ccc3cccc4ccc1c2c34 |
Title of publication | Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange |
Authors of publication | Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M. |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 5 |
Pages of publication | 1515 |
a | 14.428 ± 0.002 Å |
b | 7.4072 ± 0.0012 Å |
c | 33.289 ± 0.005 Å |
α | 90° |
β | 91.483 ± 0.002° |
γ | 90° |
Cell volume | 3556.4 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.1664 |
Residual factor for significantly intense reflections | 0.0723 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1407 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7207338.html
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