Information card for entry 4515773

Structure parameters

• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• SMILES: O(C)c1c(OC)cc2c(c1)C1(c3c2c(ccc3C)C)C=CC(=C\C(=O)OCC)/c2ccccc12
• Title of publication: Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes
• Authors of publication: Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 11029
• a: 9.097 ± 0.004 Å
• b: 12.191 ± 0.005 Å
• c: 13.111 ± 0.005 Å
• α: 114.466 ± 0.006°
• β: 95.343 ± 0.007°
• γ: 108.732 ± 0.007°
• Cell volume: 1209.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No