Information card for entry 1520379

Structure parameters

• Formula: C25 H32 O5
• Calculated formula: C25 H32 O5
• SMILES: O1c2c(c3C[C@@H](O)CC(=O)c3c(O)c2)C[C@H]2[C@@]3([C@H](C(C(=O)CC3)(C)C)CC[C@]12C)C
• Title of publication: Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.
• Authors of publication: Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 6
• Pages of publication: 1442 - 1445
• a: 8.7283 ± 0.0002 Å
• b: 25.8978 ± 0.0004 Å
• c: 10.1531 ± 0.0002 Å
• α: 90°
• β: 109.86 ± 0.002°
• γ: 90°
• Cell volume: 2158.55 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No