Information card for entry 4116596

Structure parameters

• Formula: C20 H27 N O3
• Calculated formula: C20 H27 N O3
• SMILES: O1C(=O)[C@@H](CC=CC[C@@H](C(=O)N([C@@H]([C@H]1c1ccccc1)C)C)C)C
• Title of publication: A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses
• Authors of publication: Daesung Lee; Jason K. Sello; Stuart L. Schreiber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 10648 - 10649
• a: 16.9921 ± 0.0006 Å
• b: 18.2387 ± 0.0008 Å
• c: 5.915 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833.14 ± 0.14 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No