Information card for entry 7160397

Structure parameters

• Formula: C34 H25 O2 P
• Calculated formula: C34 H25 O2 P
• Title of publication: Phosphinylation/cyclization of propynolaldehydes to isobenzo-furanylic phosphine oxides displaying AIE properties.
• Authors of publication: Chang, Xin; Han, Xiao-Wen; Zhu, Hai-Tao; Zhou, Ni-Ni; Yang, Nan; Shen, Cheng-Ping; Qi, Chunxuan; Zhou, An-Xi; Feng, Hai-Tao; Tang, Ben Zhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3154 - 3162
• a: 10.3029 ± 0.0002 Å
• b: 26.9879 ± 0.0004 Å
• c: 18.4734 ± 0.0003 Å
• α: 90°
• β: 96.403 ± 0.001°
• γ: 90°
• Cell volume: 5104.55 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No