Information card for entry 4033790

Structure parameters

• Formula: C18 H17 F O3
• Calculated formula: C18 H17 F O3
• SMILES: Fc1ccc(C2=C(c3c(OC2)cc(OC)cc3OC)C)cc1
• Title of publication: Palladium(II)-Catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes.
• Authors of publication: Carral-Menoyo, Asier; Misol, Alexander; Gómez-Redondo, Marcos; Sotomayor, Nuria; Lete, Esther
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 2048 - 2060
• a: 3.9525 ± 0.0002 Å
• b: 14.699 ± 0.0008 Å
• c: 24.6043 ± 0.0014 Å
• α: 90°
• β: 94.082 ± 0.005°
• γ: 90°
• Cell volume: 1425.83 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0801
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No