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Information card for entry 1554004
Preview
Coordinates | 1554004.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H24 N5 O |
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Calculated formula | C16 H24 N5 O |
SMILES | O=C1N([N]C(=NN1C(C)C)c1ccc(N(C)C)cc1)C(C)C |
Title of publication | Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches. |
Authors of publication | Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R. |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2015 |
Journal volume | 119 |
Journal issue | 43 |
Pages of publication | 10750 - 10760 |
a | 8.054 ± 0.003 Å |
b | 5.95 ± 0.002 Å |
c | 17.507 ± 0.006 Å |
α | 90° |
β | 95.31 ± 0.005° |
γ | 90° |
Cell volume | 835.4 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1212 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/1554004.html
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