Information card for entry 1514178

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: C[C@@H]1CC(=O)[C@H]([C@]2(O1)Oc1c(C)cc(c(c1C[C@H]2C)O)C(=O)C)C.C[C@H]1CC(=O)[C@@H]([C@@]2(O1)Oc1c(C)cc(c(c1C[C@@H]2C)O)C(=O)C)C
• Title of publication: Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.
• Authors of publication: Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 800 - 806
• a: 21.945 ± 0.004 Å
• b: 15.45 ± 0.003 Å
• c: 10.384 ± 0.002 Å
• α: 90°
• β: 103.603 ± 0.004°
• γ: 90°
• Cell volume: 3421.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No