Information card for entry 4304959

Structure parameters

• Formula: C126 H202 O105 Sn2
• Calculated formula: C126 H147 O105 Sn2
• SMILES: [C@@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]3O[Sn]4567O[C@H]8[C@@H]9O[C@@H]([C@H]([C@@H]8O6)O[C@@H]6[C@H]8[C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O9)O)O)O)O)O)O)O)O)O)O)O[Sn]69(O[C@H]%10[C@H](O[C@@H]([C@H]([C@@H]%10O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]%10[C@@H]([C@H]([C@@H]([C@@H](CO)O%10)O2)O)O)[C@@H](CO)O6)O)O)O)O)O)O)CO)O[C@@H]([C@@H]3O5)[C@@H](CO)O1)(O8)O[C@H]1[C@@H]2O[C@@H]([C@H]([C@@H]1O9)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]([C@H]([C@@H]([C@@H](CO)O1)O2)O7)O4)O)O)O)O)O)O)O)O)O)O)CO)CO)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: 19.9 ± 0.0011 Å
• b: 19.9 ± 0.0011 Å
• c: 43.051 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14764.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No