Information card for entry 4104837

Structure parameters

• Formula: C27 H32 N2 O7
• Calculated formula: C27 H32 N2 O7
• SMILES: O(c1nc2c(cc1)[C@@H](C[C@@H]1[C@H](OC(=O)c3cc(N(=O)=O)ccc3)C[C@@H](C[C@@H]1C2)C)CC(=O)OCC)C.O(c1nc2c(cc1)[C@H](C[C@H]1[C@@H](OC(=O)c3cc(N(=O)=O)ccc3)C[C@H](C[C@H]1C2)C)CC(=O)OCC)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: 10.5537 ± 0.0008 Å
• b: 10.9345 ± 0.0007 Å
• c: 11.9132 ± 0.0008 Å
• α: 69.127 ± 0.001°
• β: 83.691 ± 0.001°
• γ: 77.491 ± 0.001°
• Cell volume: 1253.25 ± 0.15 ų
• Cell temperature: 165.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.734
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No