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Information card for entry 4121779
Preview
Coordinates | 4121779.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H63 N3 O6 |
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Calculated formula | C45 H63 N3 O6 |
SMILES | n1ccc(cc1)c1c(C)cc(NCc2cc(C)c(c(C)c2)c2ccncc2)cc1C.O1CCOCCOCCOCCOCCOCCCCCCCC1 |
Title of publication | Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change. |
Authors of publication | Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 20 |
Pages of publication | 7403 - 7409 |
a | 10.4495 ± 0.0017 Å |
b | 12.662 ± 0.002 Å |
c | 17.918 ± 0.003 Å |
α | 84.349 ± 0.002° |
β | 79.418 ± 0.002° |
γ | 65.712 ± 0.002° |
Cell volume | 2123.5 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1703 |
Residual factor for significantly intense reflections | 0.1049 |
Weighted residual factors for significantly intense reflections | 0.2833 |
Weighted residual factors for all reflections included in the refinement | 0.3297 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4121779.html
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Users of the data should acknowledge the original authors of the
structural data.