Information card for entry 4035145

Structure parameters

• Common name: Zwick/TAM II-4 f8-13
• Formula: C18 H30 O5 Si
• Calculated formula: C18 H30 O5 Si
• SMILES: [Si](OC[C@@]12O[C@]34C(=O)C[C@@H]1O[C@@H](O)[C@@H]2[C@H]4CCC3)(C)(C)C(C)(C)C.[Si](OC[C@]12O[C@@]34C(=O)C[C@H]1O[C@H](O)[C@H]2[C@@H]4CCC3)(C)(C)C(C)(C)C
• Title of publication: Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C³) Sequences: Scope, Limitation, and Computational Investigations.
• Authors of publication: Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 9818 - 9838
• a: 7.0888 ± 0.0003 Å
• b: 8.1527 ± 0.0003 Å
• c: 18.2143 ± 0.0008 Å
• α: 85.311 ± 0.003°
• β: 81.831 ± 0.003°
• γ: 67.988 ± 0.003°
• Cell volume: 965.56 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No