Information card for entry 2241933

Structure parameters

• Common name: (18-Crown-6)potassium acetate dihydrate
• Chemical name: (Acetato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10,13,16-hexaoxacyclooctadecane-\ κ^6^<i>O</i>)potassium dihydrate
• Formula: C14 H31 K O10
• Calculated formula: C14 H31 K O10
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]123456OC(=[O]1)C.O.O
• Title of publication: Crystal structures of two solvates of (18-crown-6)potassium acetate
• Authors of publication: Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1757 - 1761
• a: 11.683 ± 0.002 Å
• b: 8.594 ± 0.002 Å
• c: 20.083 ± 0.004 Å
• α: 90°
• β: 100.59 ± 0.03°
• γ: 90°
• Cell volume: 1982.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes