Information card for entry 7120288

Structure parameters

• Formula: C37.5 H37.5 Na7.5 O37.5
• Calculated formula: C42 H55 Na2 O37.5
• SMILES: [C@@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H](O1)CO)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O2)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)[C@@H](CO)O1)O)O.[Na+].[Na+].O.O.O
• Title of publication: Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery
• Authors of publication: Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.353 ± 0.005 Å
• b: 19.678 ± 0.005 Å
• c: 29.79 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6069 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2667
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No