Information card for entry 7120151

Structure parameters

• Formula: C28 H21 O2 P
• Calculated formula: C28 H21 O2 P
• Title of publication: Silver-mediated radical 5-exo-dig cyclization of 2-alkynylbenzonitriles: Synthesis of phosphinylated 1-indenones
• Authors of publication: Jiang, Bo; Zhu, Xiao-Tong; Zhao, Qi; Liu, Feng; Wang, Ai-Fang; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.93 ± 0.0008 Å
• b: 19.1231 ± 0.0016 Å
• c: 11.1659 ± 0.0009 Å
• α: 90°
• β: 109.173 ± 0.002°
• γ: 90°
• Cell volume: 2204.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1282
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No