Information card for entry 1556575

Structure parameters

• Formula: C28 H30 N4 O7 S
• Calculated formula: C28 H30 N4 O7 S
• SMILES: S(=O)(=O)(N1[C@@H]2N(c3c([C@@]42OC(=O)[C@@H](n2c(=O)c5c(nc2[C@@H](O)C(C)C)cccc5)C4)cccc3)C(=O)C1(C)C)C
• Title of publication: Quinazoline-Containing Indole Alkaloids from the Marine-Derived Fungus <i>Aspergillus</i> sp. HNMF114.
• Authors of publication: Kong, Fan-Dong; Zhang, Sheng-Liang; Zhou, Shuang-Qing; Ma, Qing-Yun; Xie, Qing-Yi; Chen, Jin-Ping; Li, Jiu-Hui; Zhou, Li-Man; Yuan, Jing-Zhe; Hu, Zhong; Dai, Hao-Fu; Huang, Xiao-Long; Zhao, You-Xing
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 3456 - 3463
• a: 8.736 ± 0.00015 Å
• b: 16.3578 ± 0.0003 Å
• c: 18.2142 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602.84 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No