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Information card for entry 7103762
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7103762.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | mono-[3-(2-imidazolylthio)]-altro-β-cyclodextrin |
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Chemical name | cyclo[(1\ρightarrow4)-(3-dexoy-3-(2-imidazolylthio))- α-D-altropyranosyl-hexakis(1\ρightarrow4)-α-D-glucopyranosyl] |
Formula | C45 H103 N2 O49.5 S |
Calculated formula | C45 H72 N2 O49.5 S |
Title of publication | Crystal Structure od mono[3-(2-imidazolylthio)]-altro-β-cyclodextrin: Elliptical distortion of the cavity and unique 'Yin-Yang' stacking |
Authors of publication | Lindner, Hans J.; Yuan, De-Qi; Fukudome, Makoto; Fujita, Kahee; Lichtenthaler, Frieder W. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
a | 15.7589 ± 0.0008 Å |
b | 15.7589 ± 0.0008 Å |
c | 53.461 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13276.7 ± 1.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.1129 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1203 |
Weighted residual factors for all reflections included in the refinement | 0.1294 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7103762.html
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