Information card for entry 7219313

Structure parameters

• Common name: 4-phenylpyridinium pamoate
• Formula: C34 H25 N O6
• Calculated formula: C34 H25 N O6
• SMILES: OC(=O)c1c(O)c(c2ccccc2c1)Cc1c(O)c(C(=O)[O-])cc2c1cccc2.[nH+]1ccc(c2ccccc2)cc1
• Title of publication: A highly selective host based on the pamoate ion
• Authors of publication: Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1549
• a: 11.0358 ± 0.0019 Å
• b: 13.172 ± 0.002 Å
• c: 17.721 ± 0.003 Å
• α: 90°
• β: 101.056 ± 0.002°
• γ: 90°
• Cell volume: 2528.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No