Information card for entry 1569074

Structure parameters

• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• 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: 7.4636 ± 0.0005 Å
• b: 8.4407 ± 0.0003 Å
• c: 25.5378 ± 0.0012 Å
• α: 97.847 ± 0.003°
• β: 93.939 ± 0.006°
• γ: 95.084 ± 0.004°
• Cell volume: 1582.17 ± 0.14 ų
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0364
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No