Information card for entry 1503461

Structure parameters

• Formula: C21.25 H20.69 O6.1
• Calculated formula: C21.25 H20.6935 O6.09675
• SMILES: O[C@H]1C[C@@H](OC)c2c(O)ccc3[C@H]4CC(=O)c5c(O)cccc5C4=C1c23.CO.O
• 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: 8.4841 ± 0.0006 Å
• b: 35.0879 ± 0.0006 Å
• c: 12.7693 ± 0.0009 Å
• α: 90°
• β: 109.561 ± 0.008°
• γ: 90°
• Cell volume: 3581.9 ± 0.4 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: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No