Information card for entry 7243710

Structure parameters

• Common name: 1,10-phenanthrolinium pamoate DMF solvate
• Formula: C38 H31 N3 O7
• Calculated formula: C38 H31 N3 O7
• SMILES: O=C(O)c1cc2ccccc2c(c1O)Cc1c2ccccc2cc(c1O)C(=O)[O-].[nH+]1cccc2ccc3cccnc3c12.O=CN(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: 10.6989 ± 0.0018 Å
• b: 11.63 ± 0.002 Å
• c: 13.421 ± 0.002 Å
• α: 82.162 ± 0.005°
• β: 72.106 ± 0.005°
• γ: 72.058 ± 0.005°
• Cell volume: 1510.3 ± 0.4 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: 0.0661
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.148
• 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