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Information card for entry 7106955
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Coordinates | 7106955.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AR-AI-11 pentyl (6-acetylamino-3-pyridyl)ethynyl cavitand |
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Chemical name | AR-AI-11 pentyl (6-acetylamino-3-pyridyl)ethynyl cavitand |
Formula | C100.6 H113.3 N8 O16.8 |
Calculated formula | C100.6 H113.3 N8 O16.8 |
Title of publication | Hydrogen-bond driven assembly of a molecular capsule facilitated by supramolecular chelation |
Authors of publication | Christer B. Aakeroy; Arbin Rajbanshi; John Desper |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 11411 |
a | 14.7722 ± 0.0007 Å |
b | 15.937 ± 0.0008 Å |
c | 22.1716 ± 0.0011 Å |
α | 109.733 ± 0.003° |
β | 96.094 ± 0.003° |
γ | 93.89 ± 0.003° |
Cell volume | 4855.4 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1804 |
Residual factor for significantly intense reflections | 0.1055 |
Weighted residual factors for significantly intense reflections | 0.2969 |
Weighted residual factors for all reflections included in the refinement | 0.3241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.806 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7106955.html
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