Information card for entry 1545472

Structure parameters

• Formula: C32 H33 N3 O8
• Calculated formula: C32 H33 N3 O8
• SMILES: O1C(C=Cc2c3n(O)c4C([C@H]5[C@@]6(NC(=O)[C@@]7(N(C6=O)CCC7)C5)[C@@H](C5=C(O)C(C=C(O5)CO)=O)c4c3ccc12)(C)C)(C)C
• Title of publication: Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.
• Authors of publication: Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 942 - 945
• a: 25.678 ± 0.003 Å
• b: 11.0955 ± 0.0007 Å
• c: 19.564 ± 0.002 Å
• α: 90°
• β: 138.94 ± 0.02°
• γ: 90°
• Cell volume: 3661.3 ± 1.6 ų
• Cell temperature: 102.7 K
• Ambient diffraction temperature: 102.7 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No