Information card for entry 1506125

Structure parameters

• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: C1(=O)N(CC[C@@]([C@H]1Cc1occc1)(C)O)Cc1ccccc1.C1(=O)N(CC[C@]([C@@H]1Cc1occc1)(C)O)Cc1ccccc1
• 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: 6.0242 ± 0.0005 Å
• b: 21.4235 ± 0.0019 Å
• c: 11.8956 ± 0.0009 Å
• α: 90°
• β: 93.449 ± 0.005°
• γ: 90°
• Cell volume: 1532.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No