Information card for entry 1552621

Structure parameters

• Formula: C26.33333 H32.33333 N3 O4.33333
• Calculated formula: C26.3333 H32.3333 N3 O4.33333
• SMILES: C1=CC(C)(Oc2c1cc1c(c2)N[C@]2(N3[C@@H](C[C@@]12O)C(=O)N1[C@H](C3=O)CCC1)C(C)(C)C=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: 13.98385 ± 0.00005 Å
• b: 14.15826 ± 0.00005 Å
• c: 36.36322 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7199.44 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0374
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No