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Information card for entry 1561001
Preview
Coordinates | 1561001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 N6 O9 |
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Calculated formula | C28 H24 N6 O9 |
SMILES | O(C(=O)[C@@H](N1C(=O)c2c3c4c(ccc3C1=O)C(=O)N([C@H](C(=O)OC)Cc1nc[nH]c1)C(=O)c4cc2)Cc1nc[nH]c1)C.O |
Title of publication | Stimuli Responsive Stable Radical Anion for Conductance Switching |
Authors of publication | Saha, Monochura; Bandyopadhyay, Subhajit |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2021 |
Journal volume | 125 |
Journal issue | 11 |
Pages of publication | 6427 - 6432 |
a | 9.1686 ± 0.0005 Å |
b | 11.5792 ± 0.0006 Å |
c | 25.431 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2699.9 ± 0.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation probe | x-ray |
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/1561001.html
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Users of the data should acknowledge the original authors of the
structural data.