Information card for entry 7107306

Structure parameters

• Common name: 2,5 lutidinium pamoate NMP solvate after immersion in supercritical CO2
• Formula: C36.25 H36.25 N2.25 O7.75
• Calculated formula: C28 H24.5 N O7
• SMILES: O=C1N(CCC1)C.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C(=O)O)C(=O)O
• Title of publication: Porous salts based on the pamoate ion
• Authors of publication: Helene Wahl; Delia A. Haynes; Tanya le Roex
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Pages of publication: 1775
• a: 7.6349 ± 0.0005 Å
• b: 10.4211 ± 0.0007 Å
• c: 19.9971 ± 0.0013 Å
• α: 89.282 ± 0.001°
• β: 85.528 ± 0.001°
• γ: 74.559 ± 0.001°
• Cell volume: 1528.9 ± 0.17 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No