Information card for entry 1547699

Structure parameters

• Formula: C20 H35 Br O3 Si
• Calculated formula: C20 H35 Br O3 Si
• SMILES: Br[C@@H]1C(=O)O[C@]2([C@@H](CC[C@@H]([C@@]12C)C)O[Si](C)(C)C(C)(C)C)CCC=C.Br[C@H]1C(=O)O[C@@]2([C@H](CC[C@H]([C@]12C)C)O[Si](C)(C)C(C)(C)C)CCC=C
• Title of publication: Total Synthesis of Paralemnolide A.
• Authors of publication: Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5996 - 5999
• a: 7.5249 ± 0.0004 Å
• b: 10.273 ± 0.0005 Å
• c: 15.343 ± 0.0008 Å
• α: 104.399 ± 0.001°
• β: 103.098 ± 0.001°
• γ: 95.903 ± 0.001°
• Cell volume: 1102.87 ± 0.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No