Information card for entry 7230421

Structure parameters

• Formula: C25 H41 N O4 S
• Calculated formula: C25 H41 N O4 S
• Title of publication: Effect of counter ions on the mesogenic ionic N-phenylpyridiniums
• Authors of publication: Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 18
• Pages of publication: 2593
• a: 57.9542 ± 0.0014 Å
• b: 8.3909 ± 0.0002 Å
• c: 10.5626 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5136.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No