Information card for entry 1553356

Structure parameters

• Formula: C34 H48 O10
• Calculated formula: C34 H48 O10
• SMILES: C(C1=C(O)C(C)(C(=C(C(=O)C(C)C)C1=O)O)C)c1c(O)c(c2O[C@@](CCC=C(C)C)(C)[C@@H](O)Cc2c1O)C(=O)C(C)C.CO.C(C1=C(O)C(C)(C(=C(C(=O)C(C)C)C1=O)O)C)c1c(O)c(c2O[C@](CCC=C(C)C)(C)[C@H](O)Cc2c1O)C(=O)C(C)C.CO
• Title of publication: Antibacterial Dimeric Acylphloroglucinols from Hypericum japonicum.
• Authors of publication: Li, Yan-Ping; Hu, Kun; Yang, Xing-Wei; Xu, Gang
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1098 - 1102
• a: 9.8858 ± 0.0002 Å
• b: 12.0145 ± 0.0002 Å
• c: 14.3049 ± 0.0002 Å
• α: 89.442 ± 0.001°
• β: 76.043 ± 0.001°
• γ: 85.25 ± 0.001°
• Cell volume: 1643.12 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No