Information card for entry 1514174

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O=C1C[C@@H]([C@]2(C)[C@H]1[C@H]1OCC3=C1[C@@](CCC3=O)(CC2)C)[C@H](C)CO
• Title of publication: Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.
• Authors of publication: Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 873 - 881
• a: 8.227 ± 0.0007 Å
• b: 11.0537 ± 0.0009 Å
• c: 18.858 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.9 ± 1.2 ų
• Cell temperature: 101.8 K
• Ambient diffraction temperature: 101.8 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No