Information card for entry 1552623

Structure parameters

• Formula: C27 H35 N3 O6
• Calculated formula: C27 H35 N3 O6
• SMILES: C1(C=Cc2c(cc3c(c2)[C@@]2(O)[C@@](N3)(O[C@@]3(NC(=O)[C@@H]4N(C3=O)CCC4)C2)C(C)(C)C=C)O1)(C)C.CO
• Title of publication: HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.
• Authors of publication: Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2181 - 2188
• a: 6.28231 ± 0.00002 Å
• b: 18.57951 ± 0.00006 Å
• c: 21.81012 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2545.73 ± 0.015 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No