Information card for entry 4104833

Structure parameters

• Common name: SW-V-172b
• Chemical name: sarpong09
• Formula: C22 H24 N2 O2 S
• Calculated formula: C22 H24 N2 O2 S
• SMILES: [C@]12(CCC[C@@H]3[C@H]2C[C@@H](CN3)c2c(C1=O)nc(cc2)OC)Sc1ccccc1.[C@@]12(CCC[C@H]3[C@@H]2C[C@H](CN3)c2c(C1=O)nc(cc2)OC)Sc1ccccc1
• Title of publication: Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation
• Authors of publication: Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11187 - 11194
• a: 7.6286 ± 0.0007 Å
• b: 11.181 ± 0.0012 Å
• c: 12.0135 ± 0.0013 Å
• α: 107.145 ± 0.005°
• β: 95.759 ± 0.005°
• γ: 105.904 ± 0.004°
• Cell volume: 923.21 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No