Information card for entry 7242619

Structure parameters

• Formula: C22 H20 O2 S
• Calculated formula: C22 H20 O2 S
• Title of publication: Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions
• Authors of publication: Yakali, Gul
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 18.7765 ± 0.0012 Å
• b: 5.7331 ± 0.0004 Å
• c: 17.6642 ± 0.001 Å
• α: 90°
• β: 107.791 ± 0.007°
• γ: 90°
• Cell volume: 1810.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No