Information card for entry 7127675

Structure parameters

• Formula: C23 H20 F N
• Calculated formula: C23 H20 F N
• SMILES: F/C(=C\c1ccc2c(c1)cccc2)CC1(c2c(N=C1C)cccc2)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: 23.0769 ± 0.001 Å
• b: 6.4038 ± 0.0002 Å
• c: 24.0305 ± 0.001 Å
• α: 90°
• β: 97.876 ± 0.002°
• γ: 90°
• Cell volume: 3517.7 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No