Information card for entry 1568571

Structure parameters

• Formula: C23 H33 O3.5
• Calculated formula: C23 H33 O3.5
• SMILES: O(c1c2C[C@]3(C)[C@]4(CC[C@@H](O)C(=C)[C@]4(C)CC[C@H]3C)c2c(OC)cc1)C.O(c1c2C[C@@]3(C)[C@@]4(CC[C@H](O)C(=C)[C@@]4(C)CC[C@@H]3C)c2c(OC)cc1)C.O
• Title of publication: Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.
• Authors of publication: Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3302 - 3310
• a: 36.4809 ± 0.0003 Å
• b: 14.42217 ± 0.00012 Å
• c: 7.54283 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3968.54 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No