Information card for entry 1501834

Structure parameters

• Formula: C23 H21 N3 O3
• Calculated formula: C23 H21 N3 O3
• SMILES: c1(nc(cc2c3ccccc3[nH]c12)C(=O)NCCc1ccc(OC)cc1)C(=O)C
• Title of publication: Antimalarial β-carboline and indolactam alkaloids from Marinactinospora thermotolerans, a deep sea isolate.
• Authors of publication: Huang, Hongbo; Yao, Yueliang; He, Zhengxiang; Yang, Tingting; Ma, Junying; Tian, Xinpeng; Li, Yayong; Huang, Caiguo; Chen, Xiaoping; Li, Wenjun; Zhang, Si; Zhang, Changsheng; Ju, Jianhua
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 2122 - 2127
• a: 16.0472 ± 0.001 Å
• b: 8.5891 ± 0.0005 Å
• c: 15.6785 ± 0.0009 Å
• α: 90°
• β: 116.563 ± 0.001°
• γ: 90°
• Cell volume: 1932.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No