Information card for entry 4304958

Structure parameters

• Formula: C126 H200 O106 Sn2
• Calculated formula: C126 H147 O106 Sn2
• SMILES: [C@@H]12[C@H]3[C@@H]4[C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@H]5[C@H]([C@@H]([C@@H](CO)O1)O2)O[Sn]126(O5)O[C@H]5[C@@H]7O[C@@H]([C@H]([C@@H]5O2)O[C@@H]2[C@H]5[C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O7)O)O)O)O)O)O)O)O)O)O)O[Sn]2(O3)(O4)(O5)O[C@H]3[C@@H]4O[C@@H]([C@H]([C@@H]3O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O4)O6)O1)O)O)O)O)O)O)O)O)O)O)CO)CO)O)O)O)O)O)O)O)O)O)O.O
• Title of publication: Unprecedented Dinuclear Tin Derivative of Deprotonated β-Cyclodextrins
• Authors of publication: Shun-Li Li; Ya-Qian Lan; Jian-Fang Ma; Jin Yang; Min Zhang; Zhong-Min Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2931 - 2933
• a: 20.3 ± 0.0019 Å
• b: 20.3 Å
• c: 27.112 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9675.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No