Information card for entry 4107694

Structure parameters

• Formula: C51 H87 N O38
• Calculated formula: C51 H54 N O38
• SMILES: O1[C@@H]2O[C@H]3[C@H]([C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@H]2O)[C@H]1CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)NC(=O)c1ccc(cc1)/C=C/c1ccccc1.O.O.O.O.O.O.O.O.O
• Title of publication: Switching between Supramolecular Dimer and Nonthreaded Supramolecular Self-Assembly of Stilbene Amide-α-Cyclodextrin by Photoirradiation
• Authors of publication: Kazuhiro Yamauchi; Yoshinori Takashima; Akihito Hashidzume; Hiroyasu Yamaguchi; Akira Harada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5024 - 5025
• a: 19.3707 ± 0.0004 Å
• b: 19.3707 ± 0.0004 Å
• c: 32.1948 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12080.3 ± 0.4 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.3416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No