Information card for entry 7102361

Structure parameters

• Common name: Potassium 4-Cl-2,6-Dimethylphenoxide Dioxane
• Formula: C15 H22 Cl K O4.5
• Calculated formula: C15 H22 Cl K O4.5
• SMILES: [K+].Clc1cc(c([O-])c(c1)C)C.O1CCOCC1.O1CCOCC1
• Title of publication: High-connectivity networks: characterization of the first uninodal 9-connected net and two topologically novel 7-connected nets.
• Authors of publication: Morris, J Jacob; Noll, Bruce C; Henderson, Kenneth W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5191 - 5193
• a: 10.9385 ± 0.0003 Å
• b: 19.5849 ± 0.0005 Å
• c: 32.2466 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6908.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No