Information card for entry 1569076

Structure parameters

• Chemical name: Isobavachalcone
• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• Title of publication: Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.
• Authors of publication: Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 3412
• a: 19.354 ± 0.004 Å
• b: 15.2873 ± 0.0018 Å
• c: 7.2681 ± 0.0011 Å
• α: 90°
• β: 97.215 ± 0.018°
• γ: 90°
• Cell volume: 2133.4 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.3082
• Residual factor for significantly intense reflections: 0.2758
• Weighted residual factors for significantly intense reflections: 0.5307
• Weighted residual factors for all reflections included in the refinement: 0.5557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.918
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No