Information card for entry 1568572

Structure parameters

• Formula: C21 H26 O3
• Calculated formula: C21 H26 O3
• SMILES: O1c2c3c(c(O)cc2)C[C@@]2([C@H](CC[C@@]4([C@]1(C(=O)CC[C@@]324)C)C)C)C.O1c2c3c(c(O)cc2)C[C@]2([C@@H](CC[C@]4([C@@]1(C(=O)CC[C@]324)C)C)C)C
• 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: 7.46953 ± 0.00017 Å
• b: 17.2423 ± 0.0004 Å
• c: 25.6766 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3306.94 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No