Information card for entry 1553283

Structure parameters

• Formula: C30 H36 O4
• Calculated formula: C30 H36 O4
• SMILES: O=C1[C@@]2(CC=C(C)C)C[C@H]3C([C@]1(C(=O)c1ccccc1)C(=O)[C@]1([C@H](C3)C(C)(C)CC1)C2=O)(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: 10.7509 ± 0.0001 Å
• b: 7.7655 ± 0.0001 Å
• c: 14.8907 ± 0.0002 Å
• α: 90°
• β: 99.69°
• γ: 90°
• Cell volume: 1225.43 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No