Information card for entry 7204345

Structure parameters

• Common name: ß-Cyclodextrin/(Z)-7-Tetradecenal complex
• Formula: C103.6 H218.6 O92.5
• Calculated formula: C103.6 H159.22 O92.033
• Title of publication: Release of the Prays oleae pheromone as a consequence of supramolecular structure: study of the ??-cyclodextrin-(Z)-tetradec-7-en-1-al complex by X-ray crystallography and NMR spectroscopy in the solid state and in solution
• Authors of publication: Yannakopoulou, Konstantina; Ripmeester, John A.; Mavridis, Irene M.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1639
• a: 15.475 ± 0.007 Å
• b: 15.466 ± 0.008 Å
• c: 15.72 ± 0.004 Å
• α: 101.86 ± 0.02°
• β: 101.91 ± 0.02°
• γ: 103.77 ± 0.03°
• Cell volume: 3445 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.65 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No