Information card for entry 1547697

Structure parameters

• Formula: C26 H37 Br O5 Si
• Calculated formula: C26 H37 Br O5 Si
• SMILES: Brc1ccc(C(=O)O[C@H]2CC[C@]34[C@@H](CC[C@@H]([C@]3([C@H]2C(=O)O4)C)C)O[Si](C)(C)C(C)(C)C)cc1.Brc1ccc(C(=O)O[C@@H]2CC[C@@]34[C@H](CC[C@H]([C@@]3([C@@H]2C(=O)O4)C)C)O[Si](C)(C)C(C)(C)C)cc1
• 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: 7.79 ± 0.0006 Å
• b: 9.6934 ± 0.0009 Å
• c: 18.868 ± 0.0013 Å
• α: 84.627 ± 0.001°
• β: 84.464 ± 0.001°
• γ: 67.565 ± 0.001°
• Cell volume: 1308.27 ± 0.18 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: 0.0363
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No