Information card for entry 1503462

Structure parameters

• Formula: C20 H16 O5
• Calculated formula: C20 H16 O5
• SMILES: O[C@H]1C[C@@H](O)c2c(O)ccc3[C@H]4CC(=O)c5c(O)cccc5C4=C1c23
• Title of publication: Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.
• Authors of publication: Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 22 - 25
• a: 5.205 ± 0.0003 Å
• b: 18.0275 ± 0.001 Å
• c: 8.0225 ± 0.0006 Å
• α: 90°
• β: 92.299 ± 0.007°
• γ: 90°
• Cell volume: 752.17 ± 0.08 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 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: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No