Information card for entry 7232161

Structure parameters

• Formula: C62 H54 N4 O7 S2
• Calculated formula: C62 H54 N4 O7 S2
• 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: 16.195 ± 0.00059 Å
• b: 9.7552 ± 0.00029 Å
• c: 16.7533 ± 0.0008 Å
• α: 90°
• β: 101.771 ± 0.0015°
• γ: 90°
• Cell volume: 2591.12 ± 0.17 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: 0.1966
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No