Information card for entry 4108884

Structure parameters

• Formula: C20 H20 N2 O9
• Calculated formula: C20 H20 N2 O9
• SMILES: [C@H]12[C@@H](C=C[C@H]([C@]1(CC(=NO2)C(=O)Nc1c(=O)oc2c(c1)ccc(c2OC)OC)O)O)O
• Title of publication: Enantioselective Total Syntheses of Trichodermamides A and B
• Authors of publication: Xiaobo Wan; Madeleine M. Joullié
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17236 - 17237
• a: 10.9542 ± 0.0012 Å
• b: 13.6868 ± 0.0017 Å
• c: 32.04 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4803.7 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No