Information card for entry 1506961

Structure parameters

• Formula: C23 H42 O3 S2 Si
• Calculated formula: C23 H42 O3 S2 Si
• SMILES: S1C2(SCCC1)[C@@H](O[C@](CC2)([C@@H](O[Si](CC)(CC)CC)C1=CCCCC1)C)OC.S1C2(SCCC1)[C@H](O[C@@](CC2)([C@H](O[Si](CC)(CC)CC)C1=CCCCC1)C)OC
• Title of publication: Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.
• Authors of publication: Overman, Larry E.; Velthuisen, Emile J.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3853 - 3856
• a: 7.323 ± 0.002 Å
• b: 17.75 ± 0.005 Å
• c: 19.552 ± 0.005 Å
• α: 81.888 ± 0.004°
• β: 88.834 ± 0.005°
• γ: 88.885 ± 0.005°
• Cell volume: 2515.1 ± 1.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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: 0.1355
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3458
• Weighted residual factors for all reflections included in the refinement: 0.3552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No