Information card for entry 1506127

Structure parameters

• Formula: C19 H25 N O5
• Calculated formula: C19 H25 N O5
• SMILES: N1(C(=O)[C@@H]([C@]2(CCC[C@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC.N1(C(=O)[C@H]([C@@]2(CCC[C@@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC
• Title of publication: Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.
• Authors of publication: Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3729 - 3732
• a: 11.8348 ± 0.0005 Å
• b: 6.7889 ± 0.0003 Å
• c: 21.2326 ± 0.0011 Å
• α: 90°
• β: 93.852 ± 0.003°
• γ: 90°
• Cell volume: 1702.09 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No