Information card for entry 1516006

Structure parameters

• Formula: C29 H30 N4 O7
• Calculated formula: C29 H30 N4 O7
• SMILES: O(C(=O)C)[C@@H](C(C)C)c1n([C@H]2C(=O)O[C@@]3([C@@H]4N(O)C(C(=O)N4c4c3cccc4)(C)C)C2)c(=O)c2c(n1)cccc2
• Title of publication: Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.
• Authors of publication: Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 1133 - 1140
• a: 9.581 ± 0.0001 Å
• b: 10.936 ± 0.0001 Å
• c: 26.3804 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2764.08 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No