Information card for entry 7119149

Structure parameters

• Formula: C21 H34 Na O13.5
• Calculated formula: C21 H34 Na O13.5
• SMILES: [C@H]1([C@H]([C@@H](O)[C@@H]([C@@H](CO)O1)O)O)Oc1ccc(cc1)O[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)[O-].[Na+].C(CC)O.O
• Title of publication: A saccharide-based crystalline sponge for hydrophilic guests
• Authors of publication: Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7013
• a: 6.6503 ± 0.0015 Å
• b: 24.44 ± 0.006 Å
• c: 14.717 ± 0.003 Å
• α: 90°
• β: 101.39 ± 0.002°
• γ: 90°
• Cell volume: 2344.9 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No