Information card for entry 7245957

Structure parameters

• Common name: chalcone analogue
• Chemical name: (2E)-3-(4-bromophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one
• Formula: C23 H17 Br O3
• Calculated formula: C23 H17 Br O3
• SMILES: Brc1ccc(/C=C/C(=O)c2ccc(OCC(=O)c3ccccc3)cc2)cc1
• Title of publication: Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends
• Authors of publication: Borges, Igor D.; Faria, Eduardo C. M.; Custódio, Jean F. M.; Duarte, Vitor S.; Fernandes, Fernanda S.; Alonso, Christian G.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Oliveira, Guilherme R.; Napolitano, Hamilton B.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 53
• Pages of publication: 34746 - 34759
• a: 6.6262 ± 0.0003 Å
• b: 7.4872 ± 0.0004 Å
• c: 19.2803 ± 0.001 Å
• α: 87.424 ± 0.002°
• β: 87.609 ± 0.002°
• γ: 71.455 ± 0.002°
• Cell volume: 905.56 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.02 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No