Information card for entry 7119150

Structure parameters

• Formula: C20.45 H30.90 Na O14.46
• Calculated formula: C20.454 H30.908 Na O14.461
• 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: 6.6481 ± 0.0005 Å
• b: 24.625 ± 0.002 Å
• c: 14.756 ± 0.0012 Å
• α: 90°
• β: 102.798 ± 0.0009°
• γ: 90°
• Cell volume: 2355.7 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No