Information card for entry 7158284

Structure parameters

• Formula: C21 H17 F3 O2
• Calculated formula: C21 H17 F3 O2
• SMILES: c12ccccc1ccc(c2C(=C\CC(F)(F)F)/c1ccc(cc1)OC)O
• Title of publication: Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.
• Authors of publication: Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 38
• Pages of publication: 8241 - 8245
• a: 10.3698 ± 0.0004 Å
• b: 12.1098 ± 0.0005 Å
• c: 29.2861 ± 0.0012 Å
• α: 90°
• β: 92.224 ± 0.002°
• γ: 90°
• Cell volume: 3674.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No