Information card for entry 7205652

Structure parameters

• Common name: dimethylammonium pamoate DMF solvate
• Formula: C28 H30 N2 O7
• Calculated formula: C28 H30 N2 O7
• SMILES: O=CN(C)C.[NH2+](C)C.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C(=O)O)C(=O)[O-]
• 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: 8.897 ± 0.0009 Å
• b: 13.7462 ± 0.0013 Å
• c: 21.261 ± 0.002 Å
• α: 90°
• β: 95.519 ± 0.001°
• γ: 90°
• Cell volume: 2588.2 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No