Information card for entry 7232163

Structure parameters

• Formula: C35 H34 N2 O3 S
• Calculated formula: C35 H34 N2 O3 S
• Title of publication: Aggregation induced emission by pyridinium‒pyridinium interactions
• Authors of publication: Leduskrasts, Kaspars; Suna, Edgars
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 460
• a: 29.4101 ± 0.001 Å
• b: 8.4373 ± 0.0002 Å
• c: 30.7626 ± 0.0011 Å
• α: 90°
• β: 115.777 ± 0.002°
• γ: 90°
• Cell volume: 6873.9 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No