Information card for entry 7061166

Structure parameters

• Formula: C25 H18 Br2 N2 O2
• Calculated formula: C25 H18 Br2 N2 O2
• SMILES: Brc1cc2c([nH]cc2C(c2c[nH]c3c2cc(Br)cc3)CC(=O)c2ccccc2O)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: 16.854 ± 0.002 Å
• b: 22.397 ± 0.002 Å
• c: 5.6423 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2129.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No