Information card for entry 1545147

Structure parameters

• Formula: C27 H37 N3 O6
• Calculated formula: C27 H37 N3 O6
• SMILES: O=C1N2C(CC(=O)c3c(OC)ccc([C@@]41C([C@H]1C[C@H]5N(CCC5)C[C@@]1(N(=O)=O)C4)(C)C)c23)(C)C.OC
• Title of publication: Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.
• Authors of publication: Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 371 - 376
• a: 10.831 ± 0.002 Å
• b: 14.3307 ± 0.0019 Å
• c: 16.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2578.9 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0435
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No