Information card for entry 4130245

Structure parameters

• Formula: C21 H22 N2 O4
• Calculated formula: C21 H22 N2 O4
• SMILES: c12ccc(cc1[C@]13CCN4C(=O)C=C[C@@]54CC[C@]1([C@H]3C5)N2C(=O)OC)OC
• Title of publication: Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.
• Authors of publication: Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 11
• Pages of publication: 3671 - 3674
• a: 20.6494 ± 0.0003 Å
• b: 12.6339 ± 0.0002 Å
• c: 6.81766 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.61 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No