Information card for entry 4024284

Structure parameters

• Formula: C72 H128 O62 S4
• Calculated formula: C72 H80 O62 S4
• Title of publication: Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes
• Authors of publication: Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1082 - 1092
• a: 22.368 ± 0.0007 Å
• b: 22.368 ± 0.0007 Å
• c: 23.151 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11583.1 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.343
• Weighted residual factors for all reflections included in the refinement: 0.3687
• Goodness-of-fit parameter for all reflections included in the refinement: 2.784
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No