Information card for entry 4033021

Structure parameters

• Formula: C25 H31 N O5
• Calculated formula: C25 H31 N O5
• SMILES: O=C1[C@@H](NC(=O)C\1=C(O)\[C@@H]1[C@@H]2[C@H](CC(=CC2)C)C=C[C@@H]1C)Cc1ccc(O)cc1.OC.O=C1[C@H](NC(=O)C\1=C(O)\[C@H]1[C@H]2[C@@H](CC(=CC2)C)C=C[C@H]1C)Cc1ccc(O)cc1.OC
• 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: 14.3407 ± 0.0004 Å
• b: 12.2598 ± 0.0004 Å
• c: 25.881 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4550.2 ± 0.2 ų
• Cell temperature: 103.4 K
• Ambient diffraction temperature: 103.4 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No