Information card for entry 1502230

Structure parameters

• Formula: C22 H28 O2
• Calculated formula: C22 H28 O2
• SMILES: c12c(c(ccc1C[C@@H]1[C@]2(CCC2=C(C(=O)CC[C@]12C)C)C)C)OC.c12c(c(ccc1C[C@H]1[C@@]2(CCC2=C(C(=O)CC[C@@]12C)C)C)C)OC
• Title of publication: Concise total synthesis of (±)-dasyscyphin D.
• Authors of publication: Zhang, Ling; Xie, Xingang; Liu, Jian; Qi, Jing; Ma, Donghui; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2956 - 2958
• a: 10.024 ± 0.004 Å
• b: 7.592 ± 0.003 Å
• c: 23.625 ± 0.009 Å
• α: 90°
• β: 93.264 ± 0.004°
• γ: 90°
• Cell volume: 1795 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No