Information card for entry 4105054

Structure parameters

• Formula: C20 H24 Br N O3
• Calculated formula: C20 H24 Br N O3
• SMILES: Brc1c(nc(OC)cc1)C[C@]1(O)C=C[C@H]2CC(=O)[C@@H]3CCCC[C@H]3[C@H]12.Brc1c(nc(OC)cc1)C[C@@]1(O)C=C[C@@H]2CC(=O)[C@H]3CCCC[C@@H]3[C@@H]12
• Title of publication: Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction
• Authors of publication: Kimberly K. Larson; Richmond Sarpong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13244 - 13245
• a: 10.083 ± 0.001 Å
• b: 7.536 ± 0.001 Å
• c: 24.344 ± 0.003 Å
• α: 90°
• β: 91.43 ± 0.002°
• γ: 90°
• Cell volume: 1849.2 ± 0.4 ų
• Cell temperature: 146.2 K
• Number of distinct elements: 5
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.404
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No