Information card for entry 7052031

Structure parameters

• Formula: C66 H94 N6 O34 S6
• Calculated formula: C66 H94 N6 O33.92 S6
• Title of publication: Stepped layers in the complexes of para-sulfonatocalix[6]arene with dimethylammonium and bis-6-aminohexylammonium cations
• Authors of publication: Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Kassab, Rima; Coleman, Anthony W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 2116
• a: 11.8372 ± 0.0004 Å
• b: 12.2645 ± 0.0004 Å
• c: 15.167 ± 0.0006 Å
• α: 106.721 ± 0.002°
• β: 111.948 ± 0.002°
• γ: 91.773 ± 0.002°
• Cell volume: 1932.05 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1549
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3957
• Weighted residual factors for all reflections included in the refinement: 0.4148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No