Information card for entry 7063688

Structure parameters

• Formula: C26 H18 O Se
• Calculated formula: C26 H18 O Se
• Title of publication: Divergent synthesis of selenide-containing spirocarbocycles and phenanthrenes through Cu(OTf)2-promoted selenylation of alkyne-containing phenol-based biaryls
• Authors of publication: Guo, Le; Liu, Anjia; Qi, Hongbo; Gu, Lei; Yuan, Xingyu; Chi, Dongmei; Chen, Shufeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 5989 - 5994
• a: 26.615 ± 0.003 Å
• b: 9.7502 ± 0.001 Å
• c: 35.915 ± 0.006 Å
• α: 90°
• β: 112.221 ± 0.016°
• γ: 90°
• Cell volume: 8628 ± 2 ų
• Cell temperature: 219.99 ± 0.1 K
• Ambient diffraction temperature: 219.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No