Information card for entry 1501824

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: O[C@]12C(=C[C@](CC2=O)(C=C)C)[C@@H](O)[C@@H]2OC(=O)[C@]3(CC[C@@H]4[C@]1([C@@H]23)C4)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: 10.5854 ± 0.0007 Å
• b: 7.81311 ± 0.00015 Å
• c: 10.6146 ± 0.0008 Å
• α: 90°
• β: 98.851 ± 0.007°
• γ: 90°
• Cell volume: 867.43 ± 0.09 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 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 significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No