Information card for entry 4032536

Structure parameters

• Formula: C18 H30 O2 Si
• Calculated formula: C18 H30 O2 Si
• SMILES: C1/C(=C\[Si](C)(C)C)[C@@H]([C@@H]([C@@H]2[C@@H](CC=C2C)C(=C)C)O1)CO
• Title of publication: Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.
• Authors of publication: Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 4640 - 4653
• a: 10.9429 ± 0.0018 Å
• b: 6.4395 ± 0.0012 Å
• c: 13.07 ± 0.003 Å
• α: 90°
• β: 102.48 ± 0.006°
• γ: 90°
• Cell volume: 899.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0926
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No