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Information card for entry 7153675
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Coordinates | 7153675.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tetra hydroxyl CB |
---|---|
Chemical name | Tetra hydroxyl CB |
Formula | C100 H155 N32 O49.5 |
Calculated formula | C100 H134 N32 O49.533 |
Title of publication | Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients. |
Authors of publication | Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 15 |
Pages of publication | 2413 - 2422 |
a | 29.339 ± 0.003 Å |
b | 13.8631 ± 0.0013 Å |
c | 29.715 ± 0.003 Å |
α | 90° |
β | 99.2288 ± 0.0016° |
γ | 90° |
Cell volume | 11930 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1158 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/7153675.html
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