Information card for entry 7134920

Structure parameters

• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• 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: 7.0689 ± 0.0008 Å
• b: 11.6245 ± 0.0012 Å
• c: 15.613 ± 0.003 Å
• α: 93.973 ± 0.011°
• β: 90.876 ± 0.011°
• γ: 92.978 ± 0.009°
• Cell volume: 1277.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2932
• Weighted residual factors for all reflections included in the refinement: 0.3147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No