Information card for entry 1569286

Structure parameters

• Formula: C24 H32 O8 S
• Calculated formula: C24 H32 O8 S
• Title of publication: Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents
• Authors of publication: Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude
• Journal of publication: Molecules
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 4303
• a: 12.3291 ± 0.0011 Å
• b: 7.9656 ± 0.0008 Å
• c: 25.755 ± 0.002 Å
• α: 90°
• β: 100.544 ± 0.003°
• γ: 90°
• Cell volume: 2486.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No