Information card for entry 2312162

Structure parameters

• Chemical name: Methyl (<i>E</i>)-3-{(1<i>R</i>,4<i>S</i>)-8-hydroxy-6-methoxy-4,7-dimethyl-5-[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acrylate
• Formula: C26 H42 O5 Si
• Calculated formula: C26 H42 O5 Si
• Title of publication: Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.
• Authors of publication: Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 177 - 181
• a: 12.0078 ± 0.0007 Å
• b: 9.262 ± 0.0006 Å
• c: 12.1411 ± 0.0008 Å
• α: 90°
• β: 104.091 ± 0.0014°
• γ: 90°
• Cell volume: 1309.66 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes