Information card for entry 1556203

Structure parameters

• Formula: C25 H42 O5 Si
• Calculated formula: C25 H42 O5 Si
• SMILES: [Si](O[C@@H](CC=C)[C@H]1CC(=O)O[C@H]1C1=C(C)CCC21OCCO2)(C(C)C)(C(C)C)C(C)C.[Si](O[C@H](CC=C)[C@@H]1CC(=O)O[C@@H]1C1=C(C)CCC21OCCO2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Asymmetric synthesis of both enantiomers of arteludovicinolide A.
• Authors of publication: Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3420 - 3423
• a: 24.5119 ± 0.0012 Å
• b: 11.5268 ± 0.0004 Å
• c: 10.5087 ± 0.0005 Å
• α: 90°
• β: 120.735 ± 0.007°
• γ: 90°
• Cell volume: 2552.1 ± 0.3 ų
• Cell temperature: 123 ± 0.2 K
• Ambient diffraction temperature: 123 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No