Information card for entry 4108980

Structure parameters

• Formula: C18 H16 F N O3
• Calculated formula: C18 H16 F N O3
• SMILES: Fc1ccc([C@H]2CC(=O)N(CC2)c2cc3OCOc3cc2)cc1
• Title of publication: Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine
• Authors of publication: Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 290 - 291
• a: 6.769 ± 0.005 Å
• b: 8.058 ± 0.006 Å
• c: 28.09 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.2 ± 1.9 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No