Information card for entry 1504718

Structure parameters

• Formula: C23 H29 N O2
• Calculated formula: C23 H29 N O2
• SMILES: CC[C@@H](c1ccccc1)[C@@H]1[C@@](O)(CC)CCN(C1=O)Cc1ccccc1.CC[C@H](c1ccccc1)[C@H]1[C@](O)(CC)CCN(C1=O)Cc1ccccc1
• Title of publication: Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.
• Authors of publication: Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 2939 - 2942
• a: 12.039 ± 0.002 Å
• b: 22.635 ± 0.004 Å
• c: 14.321 ± 0.003 Å
• α: 90°
• β: 93.33 ± 0.012°
• γ: 90°
• Cell volume: 3895.9 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0522
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No