Information card for entry 7160691

Structure parameters

• Formula: C26 H28 O4
• Calculated formula: C26 H28 O4
• Title of publication: Rapid construction of furan-linked bisheterocycles <i>via</i> a palladium-catalyzed domino Heck/cross-coupling reaction.
• Authors of publication: Wang, Du; Yin, Zhilong; Feng, Xueli; Zhu, Huixuan; Gao, Fan; Li, Jiaxin; Zhang, Jingli; Yuan, Ye
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 8267 - 8273
• a: 8.084 ± 0.0006 Å
• b: 25.4157 ± 0.0019 Å
• c: 10.9775 ± 0.0008 Å
• α: 90°
• β: 110.649 ± 0.001°
• γ: 90°
• Cell volume: 2110.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: Synchrotron
• Diffraction radiation X-ray symbol: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No