Information card for entry 7107305

Structure parameters

• Common name: 3,4 lutidinium pamoate hydrate THF solvate after immersion in supercritical CO2
• Formula: C32 H30 N O7
• Calculated formula: C32 H30 N O7
• Title of publication: Porous salts based on the pamoate ion
• Authors of publication: Helene Wahl; Delia A. Haynes; Tanya le Roex
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Pages of publication: 1775
• a: 22.11 ± 0.006 Å
• b: 19.808 ± 0.005 Å
• c: 14.613 ± 0.004 Å
• α: 90°
• β: 114.992 ± 0.004°
• γ: 90°
• Cell volume: 5801 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No