Information card for entry 1561309

Structure parameters

• Formula: C18 H13 N3 O4
• Calculated formula: C18 H13 N3 O4
• SMILES: N1C(=O)C(n2c(nc3ccccc3c2=O)C1=O)Cc1c(O)cccc1
• Title of publication: 17-Hydroxybrevianamide N and Its N1-Methyl Derivative, Quinazolinones from a Soft-Coral-Derived <i>Aspergillus</i> sp. Fungus: 13<i>S</i> Enantiomers as the True Natural Products.
• Authors of publication: Xu, Wei-Feng; Chao, Rong; Hai, Yang; Guo, Yang-Yang; Wei, Mei-Yan; Wang, Chang-Yun; Shao, Chang-Lun
• Journal of publication: Journal of natural products
• Year of publication: 2021
• a: 24.705 ± 0.004 Å
• b: 8.3362 ± 0.0005 Å
• c: 20.825 ± 0.003 Å
• α: 90°
• β: 131.76 ± 0.03°
• γ: 90°
• Cell volume: 3199.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.373
• Weighted residual factors for all reflections included in the refinement: 0.4346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.711
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No