Information card for entry 7107726

Structure parameters

• Common name: 2dfc3ca
• Formula: C120 H176 N10 O46 S5
• Calculated formula: C120 H176 N10 O46 S5
• Title of publication: Ionic galleries: a bilayered host-guest cocrystal of C-propyl pyrogallol[4]arene with an ionic liquid
• Authors of publication: Drew A. Fowler; Simon J. Teat; Gary A. Baker; Jerry L. Atwood
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5262
• a: 11.6614 ± 0.0014 Å
• b: 45.415 ± 0.006 Å
• c: 12.8123 ± 0.0016 Å
• α: 90°
• β: 106.418 ± 0.002°
• γ: 90°
• Cell volume: 6508.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No