Information card for entry 7061167

Structure parameters

• Formula: C25 H18 F2 N2 O2
• Calculated formula: C25 H18 F2 N2 O2
• SMILES: Fc1cc2c([nH]cc2C(CC(=O)c2c(O)cccc2)c2c[nH]c3c2cc(F)cc3)cc1
• Title of publication: Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents
• Authors of publication: Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1295 - 1307
• a: 11.269 ± 0.003 Å
• b: 8.445 ± 0.002 Å
• c: 20.524 ± 0.004 Å
• α: 90°
• β: 96.54 ± 0.02°
• γ: 90°
• Cell volume: 1940.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No