Information card for entry 7205647

Structure parameters

• Common name: bis(2-picoline) pamoaic acid co-crystal
• Formula: C35 H30 N2 O6
• Calculated formula: C35 H30 N2 O6
• SMILES: c1(ccccn1)C.c1(c(cc2ccccc2c1Cc1c(c(cc2ccccc12)C(=O)O)O)C(=O)O)O.c1(ccccn1)C
• 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: 26.404 ± 0.002 Å
• b: 4.7782 ± 0.0004 Å
• c: 24.059 ± 0.002 Å
• α: 90°
• β: 115.175 ± 0.002°
• γ: 90°
• Cell volume: 2747 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No