Information card for entry 1516007

Structure parameters

• Formula: C28 H31 N5 O5
• Calculated formula: C28 H31 N5 O5
• SMILES: O[C@@]1([C@@H]2NC(C(=O)N2c2c1cccc2)(C)C)C[C@H]1n2c(nc3c(cccc3)c2=O)C(=C(C)C)NC1=O.OC
• 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: 12.4363 ± 0.0002 Å
• b: 13.6529 ± 0.0002 Å
• c: 15.6264 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653.23 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No