Information card for entry 7129836

Structure parameters

• Formula: C30 H31 N O4
• Calculated formula: C30 H31 N O4
• SMILES: Oc1c(cc(cc1C(C)(C)C)C1=C(c2ccc(N(=O)=O)cc2)C(=O)c2c1c(ccc2)C)C(C)(C)C
• 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: 11.4176 ± 0.0005 Å
• b: 11.604 ± 0.0005 Å
• c: 22.5633 ± 0.001 Å
• α: 98.223 ± 0.002°
• β: 92.734 ± 0.002°
• γ: 119.273 ± 0.001°
• Cell volume: 2556.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No