Information card for entry 1553284

Structure parameters

• Formula: C30 H44 O5
• Calculated formula: C30 H44 O5
• SMILES: OC1=C(C(=O)C(C)C)C(=O)C(CC=C(C)C)(C(=C1C[C@H]1[C@H](C(=C)C)CC[C@]1(O)C)O)CC=C(C)C
• Title of publication: Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.
• Authors of publication: Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 885 - 895
• a: 10.0575 ± 0.0003 Å
• b: 16.0634 ± 0.0004 Å
• c: 17.39 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2809.49 ± 0.13 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: 0.0346
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No