Information card for entry 4032068

Structure parameters

• Formula: C46 H90 N2 O38
• Calculated formula: C46 H42 N2 O38
• Title of publication: Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent
• Authors of publication: Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 2495
• a: 16.7086 ± 0.0005 Å
• b: 21.6694 ± 0.0008 Å
• c: 8.223 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2977.26 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No