Information card for entry 7119151

Structure parameters

• Formula: C20.29 H30.59 Na O14
• Calculated formula: C20.2965 H30.593 Na O14
• 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+].C1[C@@H](C)O1.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: 6.6239 ± 0.0005 Å
• b: 24.772 ± 0.0017 Å
• c: 14.6783 ± 0.001 Å
• α: 90°
• β: 102.43 ± 0.0015°
• γ: 90°
• Cell volume: 2352.1 ± 0.3 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: 0.0674
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No