Information card for entry 7063042

Structure parameters

• Formula: C24 H17 F N2 O6
• Calculated formula: C24 H17 F N2 O6
• SMILES: Fc1cc2C3(C4=C(OC(=C3C(=O)OCC)N)C(=O)c3ccccc3C4=O)C(=O)N(c2cc1)C
• Title of publication: Design, synthesis, and evaluation of 1,4-naphthoquinone-chromene hybrids as potential anti-K562 and A549 agents
• Authors of publication: Zhang, Wen-Hui; Zhang, Bo; Pan, Bo-Wen; Liu, Xiong-Wei; Yin, Zhi-Gang; Zhuo, Yu-Zhou; Lei, Chuan-wen; Zhou, Ying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5334 - 5345
• a: 8.715 ± 0.0008 Å
• b: 10.4907 ± 0.0008 Å
• c: 12.3492 ± 0.0006 Å
• α: 92.135 ± 0.005°
• β: 101.797 ± 0.006°
• γ: 108.263 ± 0.007°
• Cell volume: 1043.27 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No