Information card for entry 7205645

Structure parameters

• Common name: pamoic acid NMP solvate
• Formula: C33 H34 N2 O8
• Calculated formula: C33 H34 N2 O8
• 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: 14.4128 ± 0.0007 Å
• b: 24.7372 ± 0.0011 Å
• c: 16.132 ± 0.0007 Å
• α: 90°
• β: 91.63 ± 0.001°
• γ: 90°
• Cell volume: 5749.3 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No