Information card for entry 1501823

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: O[C@@H]1CC[C@@]2(C3=C(OC2)C(=O)C2=C[C@](CC[C@]2(O)[C@@]13C)(C=C)C)C
• Title of publication: Chemical constituents of a marine fungus, Arthrinium sacchari.
• Authors of publication: Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 1645 - 1649
• a: 11.3885 ± 0.0003 Å
• b: 11.8068 ± 0.0005 Å
• c: 12.5872 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1692.5 ± 0.15 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No