Information card for entry 7200390

Structure parameters

• Common name: 3,4 lutidine pamoate
• Formula: C37 H34 N2 O6
• Calculated formula: C37 H34 N2 O6
• SMILES: [nH+]1cc(c(cc1)C)C.[nH+]1cc(c(cc1)C)C.Oc1c(cc2ccccc2c1Cc1c(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: 11.196 ± 0.002 Å
• b: 12.653 ± 0.003 Å
• c: 22.963 ± 0.005 Å
• α: 104.32 ± 0.03°
• β: 103.24 ± 0.03°
• γ: 91.58 ± 0.03°
• Cell volume: 3055.9 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No