Information card for entry 2204714

Structure parameters

• Common name: (cis-syn-cis-Dicyclohexano-18-crown-6)potassium chlorochromate
• Chemical name: cis-syn-cis- icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin)potassium chlorochromate
• Formula: C20 H36 Cl Cr K O9
• Calculated formula: C20 H36 Cl Cr K O9
• SMILES: [Cr](=O)(=O)(Cl)O[K]34567[O]1[C@@H]2[C@H]([O]7CC[O]6CC[O]5[C@@H]5[C@H]([O]4CC[O]3CC1)CCCC5)CCCC2
• Title of publication: (<i>cis</i>-<i>syn</i>-<i>cis</i>-Dicyclohexano-18-crown-6)potassium chlorochromate
• Authors of publication: Kotlyar, Sergey A.; Zubatyuk, Roman I.; Zhigalko, Marina V.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1847 - m1848
• a: 8.8828 ± 0.0017 Å
• b: 10.271 ± 0.002 Å
• c: 14.408 ± 0.003 Å
• α: 90°
• β: 104.306 ± 0.017°
• γ: 90°
• Cell volume: 1273.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes