Information card for entry 1513565

Structure parameters

• Formula: C23 H36 O4 Si
• Calculated formula: C23 H36 O4 Si
• SMILES: [Si]([C@@H]1C[C@@H]2C(=O)OC[C@@]3([C@@H]2C=C1)CCCC([C@H]3COC(=O)C=C)(C)C)(C)(C)C.[Si]([C@H]1C[C@H]2C(=O)OC[C@]3([C@H]2C=C1)CCCC([C@@H]3COC(=O)C=C)(C)C)(C)(C)C
• 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: 8.4671 ± 0.0007 Å
• b: 11.9089 ± 0.0011 Å
• c: 12.8735 ± 0.0011 Å
• α: 70.766 ± 0.008°
• β: 75.194 ± 0.008°
• γ: 77.187 ± 0.008°
• Cell volume: 1171.4 ± 0.19 ų
• Cell temperature: 295.08 ± 0.1 K
• Ambient diffraction temperature: 295.08 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No