Information card for entry 7243708

Structure parameters

• Common name: 1,10-phenanthrolinium pamoate DMA solvate
• Formula: C39 H33 N3 O7
• Calculated formula: C39 H33 N3 O7
• SMILES: O=C([O-])c1cc2ccccc2c(c1O)Cc1c2ccccc2cc(c1O)C(=O)O.[nH+]1cccc2c1c1ncccc1cc2.O=C(C)N(C)C
• Title of publication: Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry
• Authors of publication: Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 7380 - 7384
• a: 11.035 ± 0.002 Å
• b: 11.907 ± 0.002 Å
• c: 13.273 ± 0.003 Å
• α: 81.38 ± 0.002°
• β: 70.064 ± 0.002°
• γ: 71.719 ± 0.002°
• Cell volume: 1554.9 ± 0.5 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No