Information card for entry 7134919

Structure parameters

• Formula: C26 H26 Cl2 O6
• Calculated formula: C26 H26 Cl2 O6
• Title of publication: Additive-controlled chemodivergent multi-component domino reaction between salicylaldehydes and Morita-Baylis-Hillman (MBH) carbonates.
• Authors of publication: Dan Xu, ?; Li, Xiaoxuan; Cai, Yifei; Chen, Yushuang; Xin, Yu; Chen, Jing; Yao, Hui; Huang, Nianyu; Wang, Nengzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 79
• Pages of publication: 15433 - 15436
• a: 8.5461 ± 0.0003 Å
• b: 11.5957 ± 0.0004 Å
• c: 13.2007 ± 0.0003 Å
• α: 72.926 ± 0.002°
• β: 87.247 ± 0.003°
• γ: 81.392 ± 0.003°
• Cell volume: 1236.41 ± 0.07 ų
• Cell temperature: 99.97 ± 0.18 K
• Ambient diffraction temperature: 99.97 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No