Information card for entry 4021866

Structure parameters

• Formula: C30 H45 N O9
• Calculated formula: C30 H45 N O9
• SMILES: [C@@H](NC(=O)[C@H]([C@](O)(C(=O)OC)CC(=O)OC(C)(C)C)C=C)(C(=O)OC(C)(C)C)Cc1ccc(cc1)OC(C)(C)C
• Title of publication: A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives
• Authors of publication: Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6185 - 6191
• a: 5.7926 ± 0.0004 Å
• b: 21.7959 ± 0.0014 Å
• c: 24.7014 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3118.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No