Information card for entry 4033022

Structure parameters

• Formula: C24 H27 N O4
• Calculated formula: C24 H27 N O4
• SMILES: O=C1N[C@H](C(=O)C\1=C(\O)[C@H]1[C@H]2[C@@H](CC(=CC2)C)C=C[C@H]1C)Cc1ccc(O)cc1.O=C1N[C@@H](C(=O)C\1=C(\O)[C@@H]1[C@@H]2[C@H](CC(=CC2)C)C=C[C@@H]1C)Cc1ccc(O)cc1
• Title of publication: Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).
• Authors of publication: Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11474 - 11486
• a: 10.838 ± 0.0002 Å
• b: 10.16461 ± 0.00019 Å
• c: 19.4057 ± 0.0004 Å
• α: 90°
• β: 105.682 ± 0.002°
• γ: 90°
• Cell volume: 2058.23 ± 0.07 ų
• Cell temperature: 102.8 K
• Ambient diffraction temperature: 102.8 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No