Information card for entry 7209723

Structure parameters

• Common name: 2,3-lutidinium pamoate
• Formula: C30 H25 N O6
• Calculated formula: C30 H25 N O6
• SMILES: [nH+]1c(c(ccc1)C)C.C(=O)(c1c(c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c2c(c1)cccc2)O)O
• 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: 13.445 ± 0.0013 Å
• b: 14 ± 0.0013 Å
• c: 13.8229 ± 0.0013 Å
• α: 90°
• β: 114.612 ± 0.001°
• γ: 90°
• Cell volume: 2365.5 ± 0.4 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: 0.0504
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No