Information card for entry 1506126

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: N1(C(=O)[C@H]([C@@](C1)(C)O)Cc1ccccc1)c1ccc(cc1)OC.N1(C(=O)[C@@H]([C@](C1)(C)O)Cc1ccccc1)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: 15.7502 ± 0.0007 Å
• b: 6.1392 ± 0.0003 Å
• c: 17.0116 ± 0.0007 Å
• α: 90°
• β: 99.577 ± 0.003°
• γ: 90°
• Cell volume: 1621.99 ± 0.13 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: 0.0684
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8598
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No