Information card for entry 1544540

Structure parameters

• Formula: C41 H54 O9
• Calculated formula: C41 H54 O9
• SMILES: c1cc(cc(c1O)O)C(=O)[C@@]12C(=O)[C@@]3(C[C@@]4([C@]52[C@](C[C@H]4CC=C(C)C)(C[C@H]2[C@](C1)(C)O[C@@](C2)(C(C)(C)O)O5)C3=O)C)CC=C(C)C.C(=O)(C)C.c1cc(cc(c1O)O)C(=O)[C@]12C(=O)[C@]3(C[C@]4([C@@]52[C@@](C[C@@H]4CC=C(C)C)(C[C@@H]2[C@@](C1)(C)O[C@](C2)(C(C)(C)O)O5)C3=O)C)CC=C(C)C.C(=O)(C)C
• Title of publication: Garmultins A–G, Biogenetically Related Polycyclic Acylphloroglucinols from Garcinia multiflora
• Authors of publication: Tian, Dong Song; Yi, Ping; Xia, Lei; Xiao, Xin; Fan, Yi Min; Gu, Wei; Huang, Lie Jun; Ben-David, Yaacov; Di, Ying Tong; Yuan, Chun Mao; Hao, Xiao Jiang
• Journal of publication: Organic Letters
• Year of publication: 2016
• a: 10.923 ± 0.001 Å
• b: 14.1551 ± 0.0012 Å
• c: 14.1908 ± 0.0012 Å
• α: 108.623 ± 0.003°
• β: 93.277 ± 0.003°
• γ: 90.412 ± 0.003°
• Cell volume: 2075.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No