Information card for entry 1561310

Structure parameters

• Formula: C19 H17 N3 O5
• Calculated formula: C19 H17 N3 O5
• SMILES: n12C(Cc3c(O)cccc3)C(=O)N(C(=O)c2nc2c(c1=O)cccc2)C.O
• 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: 8.3911 ± 0.0006 Å
• b: 8.8058 ± 0.0007 Å
• c: 13.4606 ± 0.0008 Å
• α: 95.446 ± 0.006°
• β: 105.411 ± 0.006°
• γ: 114.671 ± 0.007°
• Cell volume: 846.93 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No