Information card for entry 1503965

Structure parameters

• Formula: C14 H17 N O2
• Calculated formula: C14 H17 N O2
• SMILES: N12C(=O)C[C@H](c3ccc(OC)cc3)[C@@H]2CCC1
• Title of publication: Rhodium-catalyzed 1,4-additions to enantiopure acceptors: asymmetric synthesis of functionalized pyrrolizidinones.
• Authors of publication: Zoute, Ludivine; Kociok-Köhn, Gabriele; Frost, Christopher G.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2491 - 2494
• a: 9.7999 ± 0.0001 Å
• b: 10.2406 ± 0.0001 Å
• c: 11.7764 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1181.84 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No