Information card for entry 4104836

Structure parameters

• Formula: C22 H32 N2 O3
• Calculated formula: C22 H32 N2 O3
• SMILES: O(c1nc2c([C@H]3CN([C@H]4C[C@H](C[C@@H](C2)[C@H]4C3)C)C(=O)OC(C)(C)C)cc1)C.O(c1nc2c([C@@H]3CN([C@@H]4C[C@@H](C[C@H](C2)[C@@H]4C3)C)C(=O)OC(C)(C)C)cc1)C
• 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: 11.129 ± 0.001 Å
• b: 14.816 ± 0.002 Å
• c: 13.034 ± 0.001 Å
• α: 90°
• β: 107.184 ± 0.002°
• γ: 90°
• Cell volume: 2053.2 ± 0.4 ų
• Cell temperature: 176.2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.818
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No