Information card for entry 4032069

Structure parameters

• Formula: C53.25 H107.25 N2.25 O45.75
• Calculated formula: C53.25 H68.75 N2.25 O45.75
• SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@@H]6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@@H]8[C@H](O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO.O=C(N(C)C)C=C.O=C(N(C)C)C=C.O.O.O.O.O.O.O.O.O=C(N(C)C)C=C.O
• 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: 15.3495 ± 0.0004 Å
• b: 15.391 ± 0.0005 Å
• c: 17.9894 ± 0.0006 Å
• α: 113.338 ± 0.0009°
• β: 99.5367 ± 0.0011°
• γ: 102.721 ± 0.001°
• Cell volume: 3651.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No