Information card for entry 7245958

Structure parameters

• Common name: chalcone analogue
• Chemical name: (2E)-3-(3-nitrophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one
• Formula: C23 H17 N O5
• Calculated formula: C23 H17 N O5
• SMILES: O(c1ccc(C(=O)/C=C/c2cc(N(=O)=O)ccc2)cc1)CC(=O)c1ccccc1
• 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: 7.3047 ± 0.0012 Å
• b: 11.062 ± 0.002 Å
• c: 22.299 ± 0.004 Å
• α: 90°
• β: 98.363 ± 0.003°
• γ: 90°
• Cell volume: 1782.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No