Information card for entry 1553359

Structure parameters

• Formula: C20 H20 O7
• Calculated formula: C20 H20 O7
• SMILES: O1[C@]2(OC)[C@@H](O)[C@]3(O[C@@H]([C@@]2(O)c2ccc(O)cc2)[C@@H]13)c1ccc(OC)cc1
• Title of publication: Hawaiienols A-D, Highly Oxygenated p-Terphenyls from an Insect-Associated Fungus, Paraconiothyrium hawaiiense.
• Authors of publication: Ren, Fengxia; Chen, Shenxi; Zhang, Yang; Zhu, Shuaiming; Xiao, Junhai; Liu, Xingzhong; Su, Ruibin; Che, Yongsheng
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1752 - 1759
• a: 8.3572 ± 0.0003 Å
• b: 11.9056 ± 0.0002 Å
• c: 9.5276 ± 0.0004 Å
• α: 90°
• β: 110.117 ± 0.005°
• γ: 90°
• Cell volume: 890.14 ± 0.06 ų
• Cell temperature: 97.6 K
• Ambient diffraction temperature: 97.6 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 all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No