Information card for entry 1508617

Structure parameters

• Formula: C28 H42 Cl N O4 S Si
• Calculated formula: C28 H42 Cl N O4 S Si
• SMILES: ClC(=C\[C@H](C(=O)N1S(=O)(=O)C[C@]23[C@H]1C[C@H](C2(C)C)CC3)C)/[C@H](O[Si](C(C)(C)C)(C)C)c1ccccc1
• Title of publication: Stereoselective formation of trisubstituted (Z)-chloroalkenes adjacent to a tertiary carbon stereogenic center by organocuprate-mediated reduction/alkylation.
• Authors of publication: Narumi, Tetsuo; Kobayakawa, Takuya; Aikawa, Haruo; Seike, Shunsuke; Tamamura, Hirokazu
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4490 - 4493
• a: 7.7247 ± 0.0008 Å
• b: 15.2035 ± 0.0015 Å
• c: 25.702 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3018.5 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No