Information card for entry 4122658

Structure parameters

• Formula: C12 H22 O6
• Calculated formula: C12 H22 O6
• SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]2COC(C)(C)O2)O)O)OC(C)(C)O1
• Title of publication: Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.
• Authors of publication: Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14128
• a: 14.199 ± 0.005 Å
• b: 5.526 ± 0.005 Å
• c: 18.342 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.478 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1436.5 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No