Information card for entry 1556984

Structure parameters

• Formula: C25 H25 N5 O5
• Calculated formula: C25 H25 N5 O5
• SMILES: O=c1n2[C@H]3C[C@]4(O)c5ccccc5N5[C@@H]4N([C@H](NC3=O)c2nc2c1cccc2)[C@H](C5=O)C.OCC
• Title of publication: Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.
• Authors of publication: Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 1
• Pages of publication: 169 - 173
• a: 13.718 ± 0.001 Å
• b: 13.718 ± 0.001 Å
• c: 21.48 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3500.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No