Information card for entry 7228606

Structure parameters

• Formula: C33 H42 O5
• Calculated formula: C33 H42 O5
• SMILES: c1c(C(=O)[C@]23C(=O)[C@@]4(C(=O)[C@]5(C[C@@H](C(C)(C)O)C([C@H]5C[C@H](C3(C)C)C4)(C)C)C2=O)CC=C(C)C)cccc1
• Title of publication: Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii
• Authors of publication: Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33113
• a: 14.15822 ± 0.00019 Å
• b: 17.0208 ± 0.0003 Å
• c: 24.2524 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5844.45 ± 0.16 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150.05 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No