Information card for entry 7209721

Structure parameters

• Common name: 3-picolinium pamoate hydrate THF solvate
• Formula: C33 H32 N O7.5
• Calculated formula: C33 H26 N O7.5
• Title of publication: Hydrate formation in pyridinium pamoate salts
• Authors of publication: Wahl, Helene; Haynes, Delia A.; Roex, Tanya le
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2450
• a: 22.064 ± 0.003 Å
• b: 19.904 ± 0.002 Å
• c: 14.513 ± 0.0017 Å
• α: 90°
• β: 115.221 ± 0.002°
• γ: 90°
• Cell volume: 5766 ± 1.2 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: 0.0862
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No