Information card for entry 7160690

Structure parameters

• Formula: C25 H26 Cl N O2
• Calculated formula: C25 H26 Cl N O2
• 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: 10.7758 ± 0.0011 Å
• b: 11.2002 ± 0.0011 Å
• c: 11.2071 ± 0.0011 Å
• α: 112.366 ± 0.003°
• β: 113.513 ± 0.003°
• γ: 97.671 ± 0.003°
• Cell volume: 1080.12 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0518
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No