Information card for entry 7127676

Structure parameters

• Formula: C27 H23 F O
• Calculated formula: C27 H23 F O
• SMILES: F/C(=C\c1ccc(c2ccccc2)cc1)CC1(c2c(cccc2)C=C(C1=O)C)C
• Title of publication: Palladium-catalyzed allylic alkylation dearomatization of β-naphthols and indoles with <i>gem</i>-difluorinated cyclopropanes.
• Authors of publication: Fu, Zhiyuan; Zhu, Jianping; Guo, Songjin; Lin, Aijun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1262 - 1265
• a: 9.3789 ± 0.0004 Å
• b: 9.718 ± 0.0003 Å
• c: 22.5084 ± 0.0009 Å
• α: 90°
• β: 100.325 ± 0.002°
• γ: 90°
• Cell volume: 2018.29 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1022
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No