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Information card for entry 7055447
Preview
Coordinates | 7055447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 N6 |
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Calculated formula | C28 H36 N6 |
SMILES | C1CCN2CCN(CCCN(CCN1Cc1ccccc1)[C@H]([C@@H]2C#N)C#N)Cc1ccccc1.C1CCN2CCN(CCCN(CCN1Cc1ccccc1)[C@@H]([C@H]2C#N)C#N)Cc1ccccc1 |
Title of publication | Reinforced cyclam derivatives functionalized on the bridging unit |
Authors of publication | Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 5829 |
a | 15.5335 ± 0.0005 Å |
b | 7.686 ± 0.0002 Å |
c | 21.3414 ± 0.0007 Å |
α | 90° |
β | 91.061 ± 0.001° |
γ | 90° |
Cell volume | 2547.52 ± 0.13 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/7055447.html
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