Information card for entry 7129831

Structure parameters

• Formula: C29 H28 Cl N O4
• Calculated formula: C29 H28 Cl N O4
• Title of publication: Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.
• Authors of publication: Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 29
• Pages of publication: 4592 - 4595
• a: 10.0582 ± 0.0006 Å
• b: 11.3137 ± 0.0007 Å
• c: 11.3744 ± 0.0007 Å
• α: 85.422 ± 0.002°
• β: 89.974 ± 0.002°
• γ: 77.443 ± 0.002°
• Cell volume: 1259.17 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No