Information card for entry 7248333

Structure parameters

• Chemical name: 1-(2,5-dihydroxyphenyl)-4-ethylpyridin-1-ium chloride water solvate
• Formula: C13 H16 Cl N O3
• Calculated formula: C13 H16 Cl N O3
• SMILES: [Cl-].[n+]1(ccc(cc1)CC)c1c(O)ccc(O)c1.O
• Title of publication: Lithium aluminate flotation by pH- and light-switchable collectors based on the natural product punicine
• Authors of publication: Zgheib, Ali; Acker, Sophie; Fischer, Maximilian Hans; Namyslo, Jan C.; Strube, Franziska; Rudolph, Martin; Fittschen, Ursula E. A.; Wollmann, Annett; Weber, Alfred P.; Nieger, Martin; Schmidt, Andreas
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 9353 - 9364
• a: 11.9361 ± 0.0003 Å
• b: 7.3938 ± 0.0002 Å
• c: 14.4601 ± 0.0004 Å
• α: 90°
• β: 93.592 ± 0.001°
• γ: 90°
• Cell volume: 1273.64 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No