Information card for entry 4103779

Structure parameters

• Formula: C15 H17 F2 N O2
• Calculated formula: C15 H17 F2 N O2
• SMILES: c1(cc2C(=C[C@@H]([C@H](c2cc1F)O)N1CCOCC1)C)F
• Title of publication: Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst
• Authors of publication: Robert Webster; Christian Böing; Mark Lautens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 444 - 445
• a: 7.273 ± 0.0006 Å
• b: 8.7412 ± 0.0008 Å
• c: 20.8648 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1326.5 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No