Information card for entry 1516008

Structure parameters

• Formula: C23 H22 N4 O4
• Calculated formula: C23 H22 N4 O4
• SMILES: O[C@@]1(c2c(NC1=O)cccc2)C[C@H]1n2c(nc3c(c2=O)cccc3)[C@H](NC1=O)C(C)C
• 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: 10.8171 ± 0.0004 Å
• b: 6.2921 ± 0.0003 Å
• c: 15.093 ± 0.0005 Å
• α: 90°
• β: 96.093 ± 0.003°
• γ: 90°
• Cell volume: 1021.46 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No