Information card for entry 2001648

Structure parameters

• Chemical name: 1,10-Dimethyl-4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane diiodide
• Formula: C20 H42 I2 N2 O6
• Calculated formula: C20 H42 I2 N2 O6
• SMILES: C1COCCOCC[N+]2(CCOCCOCC[N+]1(CCOCCOCC2)C)C.[I-].[I-]
• Title of publication: <i>N</i>,<i>N</i>'-Dimethylcryptand[2.2.2] diiodide
• Authors of publication: Korber, N.; Jansen, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1220 - 1222
• a: 21.953 ± 0.005 Å
• b: 8.961 ± 0.003 Å
• c: 13.588 ± 0.003 Å
• α: 90°
• β: 96.07 ± 0.03°
• γ: 90°
• Cell volume: 2658.1 ± 1.2 ų
• Cell temperature: 295 ± 0.5 K
• Ambient diffraction temperature: 295 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0772
• Goodness-of-fit parameter for all reflections: 1.144
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No