Information card for entry 7205649

Structure parameters

• Common name: 2-picolinium pamoate THF solvate
• Formula: C33 H31 N O7
• Calculated formula: C33 H31 N O7
• Title of publication: Solvate formation in lutidinium pamoate salts: a systematic study
• Authors of publication: Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2227
• a: 13.8694 ± 0.0011 Å
• b: 12.7194 ± 0.001 Å
• c: 16.5587 ± 0.0013 Å
• α: 90°
• β: 111.16 ± 0.001°
• γ: 90°
• Cell volume: 2724.2 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1188
• 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