Information card for entry 1552482

Structure parameters

• Formula: C26 H29 N3 O4
• Calculated formula: C26 H29 N3 O4
• SMILES: c12ccc3[C@@]4(C([C@@H]5C[C@]67CCCN6C(=O)[C@]5(NC7=O)C4)(C)C)C(=O)Nc3c2C=CC(O1)(C)C
• Title of publication: Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.
• Authors of publication: Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2019
• Journal volume: 67
• Journal issue: 43
• Pages of publication: 11994 - 12001
• a: 7.144 ± 0.0002 Å
• b: 17.6831 ± 0.0005 Å
• c: 18.5462 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.91 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No