Information card for entry 2004385

Structure parameters

• Common name: Potassium-dibenzo[18]crown-6 triiodide
• Chemical name: [(dibenzo[b,k][1,4,7,10,13,16]hexaoxa-cyclooctadeca-2,11-diene)potassium] triiodide
• Formula: C20 H24 I3 K O6
• Calculated formula: C20 H24 I3 K O6
• SMILES: I[I-]I.[K]12345[O]6c7ccccc7[O]1CC[O]2CC[O]3c1ccccc1[O]4CC[O]5CC6
• Title of publication: Potassium Dibenzo-18-crown-6 Triiodide
• Authors of publication: Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 24 - 27
• a: 9.7749 ± 0.0014 Å
• b: 16.821 ± 0.003 Å
• c: 15.293 ± 0.002 Å
• α: 90°
• β: 99.501 ± 0.014°
• γ: 90°
• Cell volume: 2480 ± 0.7 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.1056
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes