Information card for entry 4036132

Structure parameters

• Formula: C21 H32 O2 Si
• Calculated formula: C21 H32 O2 Si
• SMILES: [Si](C1C(=O)[C@]2([C@]34[C@H](C=C[C@H]2C)CO[C@@H]4CCC=13)CCCC)(C)(C)C.[Si](C1C(=O)[C@@]2([C@@]34[C@@H](C=C[C@@H]2C)CO[C@H]4CCC=13)CCCC)(C)(C)C
• Title of publication: Rh(I)-catalyzed chemo- and stereoselective domino cycloaddition of optically active propargyl 2,4-hexadienyl ethers.
• Authors of publication: Ying, Jun; Brown, Kenneth B.; Sandridge, Matthew J.; Hering, Brooke A.; Sabat, Michal; Pu, Lin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 3195 - 3202
• a: 8.0904 ± 0.001 Å
• b: 9.992 ± 0.0012 Å
• c: 13.4675 ± 0.0016 Å
• α: 82.598 ± 0.002°
• β: 87.292 ± 0.002°
• γ: 68.4661 ± 0.0019°
• Cell volume: 1004.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No