Information card for entry 2009854

Structure parameters

• Formula: C10 H20 I Na O5
• Calculated formula: C10 H20 I Na O5
• SMILES: I[Na]1234[O]5CC[O]1CC[O]4CC[O]3CC[O]2CC5
• Title of publication: 1,4,7,10,13-Pentaoxacyclopentadecane (15-crown-5) sodium iodide complex, C~10~H~20~O~5~.NaI
• Authors of publication: Buchanan, G. W.; Gerzain, M.; Bensimon, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1016 - 1019
• a: 9.872 ± 0.002 Å
• b: 9.907 ± 0.002 Å
• c: 15.407 ± 0.002 Å
• α: 90°
• β: 101.294 ± 0.017°
• γ: 90°
• Cell volume: 1477.7 ± 0.5 ų
• Cell temperature: 193 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 2.29
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No