Information card for entry 1513563

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O1C(=O)[C@]23[C@H]([C@@]4(CCCC([C@H]4CO)(C)C)C1)CC[C@H](C2)C(=C)C3=O.O1C(=O)[C@@]23[C@@H]([C@]4(CCCC([C@@H]4CO)(C)C)C1)CC[C@@H](C2)C(=C)C3=O
• Title of publication: Total synthesis of (±)-sculponeatin N.
• Authors of publication: Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 216 - 219
• a: 18.279 ± 0.0011 Å
• b: 6.5834 ± 0.0003 Å
• c: 15.098 ± 0.0007 Å
• α: 90°
• β: 96.08 ± 0.005°
• γ: 90°
• Cell volume: 1806.64 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No