Information card for entry 1505079

Structure parameters

• Formula: C45 H54 N4 O11 S2
• Calculated formula: C45 H54 N4 O11 S2
• Title of publication: Synthesis, Structure, and Aggregation-Induced Emission of a Novel Lambda (Λ)-Shaped Pyridinium Salt Based on Tröger's Base
• Authors of publication: Yuan, C.-X.; Tao, X.-T.; Ren, Y.; Li, Y.; Yang, J.-X.; Yu, W.-T.; Wang, L.; Jiang, M.-H.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 34
• Pages of publication: 12811
• a: 34.527 ± 0.005 Å
• b: 10.543 ± 0.005 Å
• c: 29.876 ± 0.005 Å
• α: 90 ± 0.005°
• β: 123.54 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9065 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No