Information card for entry 1504862

Structure parameters

• Formula: C15 H30 O6 Si
• Calculated formula: C15 H30 O6 Si
• SMILES: C[Si](C)(C(C)(C)C)OC[C@@H]([C@]1(C[C@H]([C@@H](C(=O)OC)O1)O)C)O
• Title of publication: Synthetic studies toward pectenotoxin 2. Part I. Stereocontrolled access to the C10-C22 fragment.
• Authors of publication: Aho, Jatta E.; Salomäki, Elina; Rissanen, Kari; Pihko, Petri M.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 4179 - 4182
• a: 10.7957 ± 0.0003 Å
• b: 7.0119 ± 0.0002 Å
• c: 12.5382 ± 0.0003 Å
• α: 90°
• β: 92.3999 ± 0.0019°
• γ: 90°
• Cell volume: 948.29 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No