Information card for entry 1514353

Structure parameters

• Formula: C34 H54 O4
• Calculated formula: C34 H54 O4
• SMILES: O[C@]1(C(=O)[C@H]([C@@](CCC=C(C)C)(C)[C@H](C[C@H](CC=C(C)C)C1=O)CC=C(C)C)C(=O)C(C)C)CC=C(C)C
• Title of publication: New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.
• Authors of publication: Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2434 - 2437
• a: 9.3781 ± 0.0002 Å
• b: 12.6568 ± 0.0003 Å
• c: 27.0482 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3210.53 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No