Information card for entry 1503460

Structure parameters

• Formula: C23 H22 O6
• Calculated formula: C23 H22 O6
• SMILES: O[C@H]1C[C@H](O)c2c(O)ccc3[C@H]4CC(=O)c5c(O)cccc5C4=C1c23.O=C(C)C
• 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: 5.68762 ± 0.0001 Å
• b: 13.586 ± 0.0003 Å
• c: 24.108 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.87 ± 0.14 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No