Information card for entry 4116595

Structure parameters

• Formula: C12 H19 N O3
• Calculated formula: C12 H19 N O3
• 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: 15.629 ± 0.004 Å
• b: 8.23 ± 0.002 Å
• c: 9.739 ± 0.002 Å
• α: 90°
• β: 94.815 ± 0.005°
• γ: 90°
• Cell volume: 1248.3 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.1135
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No