Information card for entry 7151162

Structure parameters

• Common name: (1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1- phenylbutan-1-ol
• Chemical name: (1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1-phenylbutan-1-ol
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: [C@@H]([C@@H](C1CCCCC1)OC)([C@H]([C@H](c1ccccc1)O)C)C=C.[C@H]([C@H](C1CCCCC1)OC)([C@@H]([C@@H](c1ccccc1)O)C)C=C
• Title of publication: Hosomi-Sakurai reactions of silacyclohexenes.
• Authors of publication: Hughes, Nicholas J.; Pullin, Robert D. C.; Sanganee, Mahesh J.; Sellars, Jonathan D.; Steel, Patrick G.; Turner, Michael J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 2841 - 2848
• a: 16.9623 ± 0.0004 Å
• b: 9.9591 ± 0.0002 Å
• c: 11.0721 ± 0.0003 Å
• α: 90°
• β: 96.287 ± 0.001°
• γ: 90°
• Cell volume: 1859.15 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.1426
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No