Information card for entry 7215535

Structure parameters

• Common name: 2,3 lutidine pamoate
• Formula: C37 H34 N2 O6
• Calculated formula: C37 H34 N2 O6
• SMILES: [nH+]1c(c(ccc1)C)C.[nH+]1cccc(c1C)C.c1(c(O)c(c2ccccc2c1)Cc1c(O)c(cc2ccccc12)C(=O)[O-])C(=O)[O-]
• Title of publication: The crystal structures of three novel lutidinium pamoate salts
• Authors of publication: Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 254 - 260
• a: 15.197 ± 0.003 Å
• b: 13.262 ± 0.003 Å
• c: 15.716 ± 0.003 Å
• α: 90°
• β: 107.2 ± 0.03°
• γ: 90°
• Cell volume: 3025.8 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7200388
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No