Information card for entry 1569075

Structure parameters

• Common name: cardamonin
• Chemical name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
• Formula: C16 H14 O4
• Calculated formula: C16 H14 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: 25.7114 ± 0.0006 Å
• b: 15.3506 ± 0.0003 Å
• c: 6.8717 ± 0.0002 Å
• α: 90°
• β: 97.058 ± 0.003°
• γ: 90°
• Cell volume: 2691.61 ± 0.11 ų
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 1025 kPa
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0594
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No