Information card for entry 4106261

Structure parameters

• Formula: C37 H48 O4 Si
• Calculated formula: C37 H48 O4 Si
• SMILES: [Si](O[C@@H]1[C@]2(CC[C@H]3[C@H](C)C4(OCCCO4)[C@@H]4C(=C23)[C@](CCC4=O)(C)C1)C)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](O[C@@H]1C[C@]2(CCC(=O)[C@@H]3C2=C2[C@]1(CC[C@@H]2[C@@H](C)C13OCCCO1)C)C)(c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: A Concise, Stereocontrolled Total Synthesis of Rippertenol
• Authors of publication: Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8850 - 8853
• a: 8.8772 ± 0.0013 Å
• b: 17.309 ± 0.003 Å
• c: 42.62 ± 0.006 Å
• α: 90°
• β: 95.771 ± 0.002°
• γ: 90°
• Cell volume: 6515.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1555
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No