Information card for entry 2312161

Structure parameters

• Chemical name: Methyl (<i>R</i>)-3-{(1<i>R</i>,4<i>S</i>)-6-methoxy-4,7-dimethyl-5,8-bis[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}butanoate
• Formula: C36 H66 O5 Si2
• Calculated formula: C36 H66 O5 Si2
• 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: 13.2385 ± 0.0002 Å
• b: 14.5713 ± 0.0003 Å
• c: 20.3505 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3925.66 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes