Information card for entry 7158709

Structure parameters

• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• SMILES: Oc1c(c2c(c(OC)c1)c1c(cc(O)cc1)CC2)Cc1ccc(O)cc1
• Title of publication: Atropisomeric 9,10-dihydrophenanthrene/bibenzyl trimers with anti-inflammatory and PTP1B inhibitory activities from Bletilla striata
• Authors of publication: Sun, Mohan; Ma, Xianjie; Shao, Siyuan; Jiang, Jianwei; Li, Jiaan; Tian, Jinying; Zhang, Jianjun; Li, Li; Ye, Fei; Li, Shuai
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.3481 ± 0.0001 Å
• b: 14.9237 ± 0.0002 Å
• c: 19.9392 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3376.82 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No