Information card for entry 2200510

Structure parameters

• Chemical name: 2-[[2-[2-[2-[2-[2-(2-Hydroxyethoxy)phenoxy]ethoxy]phenoxy]ethoxy] phenoxy]methyl]benzoato-aquarubidium monohydrate
• Formula: C32 H35 O11 Rb
• Calculated formula: C32 H35 O11 Rb
• SMILES: C(=O)(c1ccccc1COc1ccccc1OCCOc1ccccc1OCCOc1ccccc1OCCO)[O-].[Rb+].O.O
• Title of publication: The rubidium salt of an ω-hydroxycarboxylic acid with six ethereal O atoms
• Authors of publication: Kasuga, N. C.; Kanda, Ryu-suke; Yamaguchi, Kazuo; Shiro, Motoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m410 - m412
• a: 10.0948 ± 0.001 Å
• b: 11.2408 ± 0.001 Å
• c: 14.055 ± 0.003 Å
• α: 85.524 ± 0.011°
• β: 71.679 ± 0.011°
• γ: 89.852 ± 0.014°
• Cell volume: 1509 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No